smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044514301 135226004 /nfs/dbraw/zinc/22/60/04/135226004.db2.gz CDTLLXBYQWAVHX-UHFFFAOYSA-N 2 0 211.309 -0.041 20 30 BBEDRP C=CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179719 350575192 /nfs/dbraw/zinc/57/51/92/350575192.db2.gz BIWIISMQMKCRQZ-JTQLQIEISA-N 2 0 211.309 -0.041 20 30 BBEDRP C=CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179722 350575396 /nfs/dbraw/zinc/57/53/96/350575396.db2.gz BIWIISMQMKCRQZ-SNVBAGLBSA-N 2 0 211.309 -0.041 20 30 BBEDRP C=CCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000070593221 343333671 /nfs/dbraw/zinc/33/36/71/343333671.db2.gz CABUNUJQZDAHLL-UHFFFAOYSA-N 2 0 211.309 -0.074 20 30 BBEDRP C#CC[NH2+]CC(=O)NC1CCC([NH3+])CC1 ZINC000086157225 643934339 /nfs/dbraw/zinc/93/43/39/643934339.db2.gz MMECZNNSUUMJDU-UHFFFAOYSA-N 2 0 209.293 -0.405 20 30 BBEDRP C=CCNC(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287646 356657148 /nfs/dbraw/zinc/65/71/48/356657148.db2.gz JZKNBEGDZYZNER-NXEZZACHSA-N 2 0 209.293 -0.560 20 30 BBEDRP COC[C@H](C)NC(=[NH2+])NCCC[NH+](C)C ZINC000104152842 634216866 /nfs/dbraw/zinc/21/68/66/634216866.db2.gz GEAMLPGYBQEKRJ-VIFPVBQESA-N 2 0 216.329 -0.123 20 30 BBEDRP COC[C@@H](C)NC(=[NH2+])NCCC[NH+](C)C ZINC000104152845 634216804 /nfs/dbraw/zinc/21/68/04/634216804.db2.gz GEAMLPGYBQEKRJ-SECBINFHSA-N 2 0 216.329 -0.123 20 30 BBEDRP CC(C)NC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000104175068 592603269 /nfs/dbraw/zinc/60/32/69/592603269.db2.gz VCCQUBXDMSFVRC-UHFFFAOYSA-N 2 0 241.383 -0.063 20 30 BBEDRP C#CCNC(=O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000113515444 588842796 /nfs/dbraw/zinc/84/27/96/588842796.db2.gz AQOSLZYEQFKMFS-NSHDSACASA-N 2 0 223.320 -0.381 20 30 BBEDRP C[NH+](C)CCOc1cc(CNC(N)=[NH2+])ccn1 ZINC000134475912 345413552 /nfs/dbraw/zinc/41/35/52/345413552.db2.gz JVVGJVOTTFOFJE-UHFFFAOYSA-N 2 0 237.307 -0.205 20 30 BBEDRP NC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000143342517 345898354 /nfs/dbraw/zinc/89/83/54/345898354.db2.gz YABCSFLTDPYETH-UHFFFAOYSA-N 2 0 200.286 -0.628 20 30 BBEDRP C=CCNC(=O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166214504 136307210 /nfs/dbraw/zinc/30/72/10/136307210.db2.gz NETJJXGOHGPFPC-NXEZZACHSA-N 2 0 211.309 -0.042 20 30 BBEDRP COCC[N@H+](C)CCCNC(=[NH2+])N(C)C ZINC000170905604 633176420 /nfs/dbraw/zinc/17/64/20/633176420.db2.gz KOJWQQRHCMNZEW-UHFFFAOYSA-N 2 0 216.329 -0.169 20 30 BBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NC ZINC000170907106 633176673 /nfs/dbraw/zinc/17/66/73/633176673.db2.gz YUOCJSWTLXVXNG-SECBINFHSA-N 2 0 241.339 -0.879 20 30 BBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NC ZINC000170907110 633177071 /nfs/dbraw/zinc/17/70/71/633177071.db2.gz YUOCJSWTLXVXNG-VIFPVBQESA-N 2 0 241.339 -0.879 20 30 BBEDRP [NH2+]=C(NCC[NH+]1CCCC1)N1CCOCC1 ZINC000170907743 640936153 /nfs/dbraw/zinc/93/61/53/640936153.db2.gz JPQQTHKMGMZDQN-UHFFFAOYSA-N 2 0 226.324 -0.271 20 30 BBEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])N(C)C)CC1 ZINC000170912998 633176266 /nfs/dbraw/zinc/17/62/66/633176266.db2.gz AVVMIQGKOHMHEG-NSHDSACASA-N 2 0 241.383 -0.111 20 30 BBEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N(C)C)CC1 ZINC000170913001 633178980 /nfs/dbraw/zinc/17/89/80/633178980.db2.gz AVVMIQGKOHMHEG-LLVKDONJSA-N 2 0 241.383 -0.111 20 30 BBEDRP CN(C)C(=[NH2+])NC[C@@H]1CN(C)CCO1 ZINC000170913281 134255412 /nfs/dbraw/zinc/25/54/12/134255412.db2.gz OGYUIKXAUCWUFO-MRVPVSSYSA-N 2 0 200.286 -0.807 20 30 BBEDRP CN(C)C(=[NH2+])NC[C@H]1CN(C)CCO1 ZINC000170913283 134255135 /nfs/dbraw/zinc/25/51/35/134255135.db2.gz OGYUIKXAUCWUFO-QMMMGPOBSA-N 2 0 200.286 -0.807 20 30 BBEDRP COCCNC(=[NH2+])NCC[NH+]1CCCC1 ZINC000171145390 640959311 /nfs/dbraw/zinc/95/93/11/640959311.db2.gz PWVBZQRMVYVWRZ-UHFFFAOYSA-N 2 0 214.313 -0.367 20 30 BBEDRP CC1(C)COCCN1CCNC(N)=[NH2+] ZINC000171413240 365197676 /nfs/dbraw/zinc/19/76/76/365197676.db2.gz YYUBGFFYNDSRDM-UHFFFAOYSA-N 2 0 200.286 -0.629 20 30 BBEDRP [NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC1CC1 ZINC000178986814 134314172 /nfs/dbraw/zinc/31/41/72/134314172.db2.gz UESCYSKDVXSOLJ-SNVBAGLBSA-N 2 0 223.324 -0.947 20 30 BBEDRP [NH2+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC1CC1 ZINC000178986824 134314354 /nfs/dbraw/zinc/31/43/54/134314354.db2.gz UESCYSKDVXSOLJ-JTQLQIEISA-N 2 0 223.324 -0.947 20 30 BBEDRP C=CCN(C)CC(=O)N1CCN(C)CC1 ZINC000182372075 347093218 /nfs/dbraw/zinc/09/32/18/347093218.db2.gz XWOUBLLEIFEOEW-UHFFFAOYSA-N 2 0 211.309 -0.122 20 30 BBEDRP [NH2+]=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC1 ZINC000211430373 134239134 /nfs/dbraw/zinc/23/91/34/134239134.db2.gz HVBDGFPKGVLCJU-MNOVXSKESA-N 2 0 238.335 -0.084 20 30 BBEDRP [NH2+]=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CC1 ZINC000211430449 357177794 /nfs/dbraw/zinc/17/77/94/357177794.db2.gz HVBDGFPKGVLCJU-QWRGUYRKSA-N 2 0 238.335 -0.084 20 30 BBEDRP C=CCNC(=O)[C@@H](C)N1CC[C@@H](C[NH3+])C1 ZINC000224224262 166382320 /nfs/dbraw/zinc/38/23/20/166382320.db2.gz NWFIRVMRLFMZOT-ZJUUUORDSA-N 2 0 211.309 -0.042 20 30 BBEDRP C=CCNC(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000261534848 135151267 /nfs/dbraw/zinc/15/12/67/135151267.db2.gz NFGFPGXUPMUJTL-LLVKDONJSA-N 2 0 211.309 -0.041 20 30 BBEDRP C=CC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000261539503 135178078 /nfs/dbraw/zinc/17/80/78/135178078.db2.gz CPNMPLZVFGTIHK-UHFFFAOYSA-N 2 0 211.309 -0.074 20 30 BBEDRP C=CC[NH+]1CCC(NC(=O)C[NH2+]C)CC1 ZINC000261546019 135238805 /nfs/dbraw/zinc/23/88/05/135238805.db2.gz KOGCURXZKNLRLS-UHFFFAOYSA-N 2 0 211.309 -0.028 20 30 BBEDRP CN1CC[NH+]=C1NC[C@H]1C[N@H+](C)CCN1C ZINC000261561173 135201965 /nfs/dbraw/zinc/20/19/65/135201965.db2.gz AKSLBAQHEJYSNA-JTQLQIEISA-N 2 0 225.340 -0.877 20 30 BBEDRP CN1CC[NH+]=C1NC[C@@H]1C[N@H+](C)CCN1C ZINC000261561174 135202138 /nfs/dbraw/zinc/20/21/38/135202138.db2.gz AKSLBAQHEJYSNA-SNVBAGLBSA-N 2 0 225.340 -0.877 20 30 BBEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2C[N@H+](C)CCN2C)N1 ZINC000261590299 135231438 /nfs/dbraw/zinc/23/14/38/135231438.db2.gz ULVOYXFFCGWGLX-NXEZZACHSA-N 2 0 225.340 -0.831 20 30 BBEDRP C[C@H]1C[NH+]=C(NC[C@H]2C[N@H+](C)CCN2C)N1 ZINC000261590300 135230948 /nfs/dbraw/zinc/23/09/48/135230948.db2.gz ULVOYXFFCGWGLX-UWVGGRQHSA-N 2 0 225.340 -0.831 20 30 BBEDRP C[C@H]1C[NH+]=C(NC[C@@H]2C[N@H+](C)CCN2C)N1 ZINC000261590301 135230763 /nfs/dbraw/zinc/23/07/63/135230763.db2.gz ULVOYXFFCGWGLX-VHSXEESVSA-N 2 0 225.340 -0.831 20 30 BBEDRP C[C@@H]1C[NH+]=C(NC[C@H]2C[N@H+](C)CCN2C)N1 ZINC000261590302 135231253 /nfs/dbraw/zinc/23/12/53/135231253.db2.gz ULVOYXFFCGWGLX-ZJUUUORDSA-N 2 0 225.340 -0.831 20 30 BBEDRP COCC[N@@H+]1CCC[C@@H]1CNC(N)=[NH2+] ZINC000261980794 135268827 /nfs/dbraw/zinc/26/88/27/135268827.db2.gz HYJHHDPTERQAHD-MRVPVSSYSA-N 2 0 200.286 -0.629 20 30 BBEDRP COCC[N@@H+]1CCC[C@H]1CNC(N)=[NH2+] ZINC000261980796 135268765 /nfs/dbraw/zinc/26/87/65/135268765.db2.gz HYJHHDPTERQAHD-QMMMGPOBSA-N 2 0 200.286 -0.629 20 30 BBEDRP C=CCNC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000262017975 534844802 /nfs/dbraw/zinc/84/48/02/534844802.db2.gz YFIDUXKOCKCVJO-UHFFFAOYSA-N 2 0 239.367 -0.286 20 30 BBEDRP C[C@@H]1C[NH+]=C(NCCN2CCC[N@H+](C)CC2)N1 ZINC000262063819 135276627 /nfs/dbraw/zinc/27/66/27/135276627.db2.gz ALTAONGROAHGFR-LLVKDONJSA-N 2 0 239.367 -0.439 20 30 BBEDRP C[C@H]1C[NH+]=C(NCCN2CCC[N@H+](C)CC2)N1 ZINC000262063835 135276928 /nfs/dbraw/zinc/27/69/28/135276928.db2.gz ALTAONGROAHGFR-NSHDSACASA-N 2 0 239.367 -0.439 20 30 BBEDRP CN(C(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000262165677 135282987 /nfs/dbraw/zinc/28/29/87/135282987.db2.gz BUHJFSYCBLMOIX-LLVKDONJSA-N 2 0 237.351 -0.605 20 30 BBEDRP CN(C(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000262165678 135282772 /nfs/dbraw/zinc/28/27/72/135282772.db2.gz BUHJFSYCBLMOIX-NSHDSACASA-N 2 0 237.351 -0.605 20 30 BBEDRP C=CCNC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000262250238 135288441 /nfs/dbraw/zinc/28/84/41/135288441.db2.gz BVCOHDGXYSFKNN-JTQLQIEISA-N 2 0 212.297 -0.857 20 30 BBEDRP C=CCNC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000262250240 135288319 /nfs/dbraw/zinc/28/83/19/135288319.db2.gz BVCOHDGXYSFKNN-SNVBAGLBSA-N 2 0 212.297 -0.857 20 30 BBEDRP CN(C)C(=[NH+]C[C@]1(O)CC[N@H+](C)C1)N(C)C ZINC000262256136 135288434 /nfs/dbraw/zinc/28/84/34/135288434.db2.gz CUURQAWFMOYSLT-LLVKDONJSA-N 2 0 228.340 -0.468 20 30 BBEDRP CN(C)C(=[NH+]C[C@@]1(O)CC[N@H+](C)C1)N(C)C ZINC000262256137 135288248 /nfs/dbraw/zinc/28/82/48/135288248.db2.gz CUURQAWFMOYSLT-NSHDSACASA-N 2 0 228.340 -0.468 20 30 BBEDRP CN(C(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000262256332 135288223 /nfs/dbraw/zinc/28/82/23/135288223.db2.gz QKHDIDDGHNRIFI-LLVKDONJSA-N 2 0 239.367 -0.359 20 30 BBEDRP CN(C(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000262256333 135287991 /nfs/dbraw/zinc/28/79/91/135287991.db2.gz QKHDIDDGHNRIFI-NSHDSACASA-N 2 0 239.367 -0.359 20 30 BBEDRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])NC2CCCC2)C1 ZINC000262256921 536475862 /nfs/dbraw/zinc/47/58/62/536475862.db2.gz CXRKTQNFCCLHMX-GFCCVEGCSA-N 2 0 240.351 -0.100 20 30 BBEDRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])NC2CCCC2)C1 ZINC000262256925 135288409 /nfs/dbraw/zinc/28/84/09/135288409.db2.gz CXRKTQNFCCLHMX-LBPRGKRZSA-N 2 0 240.351 -0.100 20 30 BBEDRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])NCC2CCC2)C1 ZINC000262262814 536475953 /nfs/dbraw/zinc/47/59/53/536475953.db2.gz FCHGIVUAWGORMU-GFCCVEGCSA-N 2 0 240.351 -0.243 20 30 BBEDRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])NCC2CCC2)C1 ZINC000262262817 135287948 /nfs/dbraw/zinc/28/79/48/135287948.db2.gz FCHGIVUAWGORMU-LBPRGKRZSA-N 2 0 240.351 -0.243 20 30 BBEDRP C[NH+]=C(NC[C@]1(O)CC[N@H+](C)C1)NC1CC1 ZINC000262264676 536304191 /nfs/dbraw/zinc/30/41/91/536304191.db2.gz FNTDBUVUEMPENL-LLVKDONJSA-N 2 0 226.324 -0.620 20 30 BBEDRP C[NH+]=C(NC[C@@]1(O)CC[N@H+](C)C1)NC1CC1 ZINC000262264677 536304717 /nfs/dbraw/zinc/30/47/17/536304717.db2.gz FNTDBUVUEMPENL-NSHDSACASA-N 2 0 226.324 -0.620 20 30 BBEDRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])Nc2ccccn2)C1 ZINC000262283893 536475323 /nfs/dbraw/zinc/47/53/23/536475323.db2.gz JSJIHADUCULEKU-GFCCVEGCSA-N 2 0 249.318 -0.125 20 30 BBEDRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])Nc2ccccn2)C1 ZINC000262283894 135289677 /nfs/dbraw/zinc/28/96/77/135289677.db2.gz JSJIHADUCULEKU-LBPRGKRZSA-N 2 0 249.318 -0.125 20 30 BBEDRP CN(C(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000262291657 135291109 /nfs/dbraw/zinc/29/11/09/135291109.db2.gz LKFBHPFVCDCDGU-LLVKDONJSA-N 2 0 226.324 -0.538 20 30 BBEDRP CN(C(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000262291658 135291671 /nfs/dbraw/zinc/29/16/71/135291671.db2.gz LKFBHPFVCDCDGU-NSHDSACASA-N 2 0 226.324 -0.538 20 30 BBEDRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])NC2CC2)C1 ZINC000262295027 135291313 /nfs/dbraw/zinc/29/13/13/135291313.db2.gz MFDSBJRJXVPPJQ-JTQLQIEISA-N 2 0 212.297 -0.880 20 30 BBEDRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])NC2CC2)C1 ZINC000262295028 536475394 /nfs/dbraw/zinc/47/53/94/536475394.db2.gz MFDSBJRJXVPPJQ-SNVBAGLBSA-N 2 0 212.297 -0.880 20 30 BBEDRP C=C(C)CNC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000262304755 135291904 /nfs/dbraw/zinc/29/19/04/135291904.db2.gz OMCSOERIEXSTIB-LLVKDONJSA-N 2 0 226.324 -0.467 20 30 BBEDRP C=C(C)CNC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000262304758 533510924 /nfs/dbraw/zinc/51/09/24/533510924.db2.gz OMCSOERIEXSTIB-NSHDSACASA-N 2 0 226.324 -0.467 20 30 BBEDRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])NC(C)(C)C)C1 ZINC000262319459 536475311 /nfs/dbraw/zinc/47/53/11/536475311.db2.gz RMPRTAZJJWIOSD-LLVKDONJSA-N 2 0 228.340 -0.244 20 30 BBEDRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])NC(C)(C)C)C1 ZINC000262319461 135293007 /nfs/dbraw/zinc/29/30/07/135293007.db2.gz RMPRTAZJJWIOSD-NSHDSACASA-N 2 0 228.340 -0.244 20 30 BBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)NC1CC1 ZINC000262325956 135292881 /nfs/dbraw/zinc/29/28/81/135292881.db2.gz TWSDCFMONQJBNG-LLVKDONJSA-N 2 0 239.367 -0.440 20 30 BBEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)NC1CC1 ZINC000262325957 135292933 /nfs/dbraw/zinc/29/29/33/135292933.db2.gz TWSDCFMONQJBNG-NSHDSACASA-N 2 0 239.367 -0.440 20 30 BBEDRP C=CCNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000262345936 135118172 /nfs/dbraw/zinc/11/81/72/135118172.db2.gz ZVBHBXZJZSASHR-JTQLQIEISA-N 2 0 225.340 -0.678 20 30 BBEDRP C=CCNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000262345937 135117984 /nfs/dbraw/zinc/11/79/84/135117984.db2.gz ZVBHBXZJZSASHR-SNVBAGLBSA-N 2 0 225.340 -0.678 20 30 BBEDRP CC[NH+]1CCN(CCNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000262476951 636275442 /nfs/dbraw/zinc/27/54/42/636275442.db2.gz CHVDTCNCRLLNFT-LLVKDONJSA-N 2 0 239.367 -0.439 20 30 BBEDRP CC[NH+]1CCN(CCNC2=[NH+]C[C@H](C)N2)CC1 ZINC000262476953 636276514 /nfs/dbraw/zinc/27/65/14/636276514.db2.gz CHVDTCNCRLLNFT-NSHDSACASA-N 2 0 239.367 -0.439 20 30 BBEDRP [NH2+]=C(NCCN1CC=CCC1)N1CCOCC1 ZINC000262477897 135119005 /nfs/dbraw/zinc/11/90/05/135119005.db2.gz QOPYFAGUORKAKA-UHFFFAOYSA-N 2 0 238.335 -0.105 20 30 BBEDRP C[C@H](CNC1=[NH+]C[C@@H](C)N1)N1CC[NH+](C)CC1 ZINC000262480959 135301844 /nfs/dbraw/zinc/30/18/44/135301844.db2.gz CXLFVTQEICNWDN-GHMZBOCLSA-N 2 0 239.367 -0.440 20 30 BBEDRP C[C@@H](CNC1=[NH+]C[C@@H](C)N1)N1CC[NH+](C)CC1 ZINC000262480961 135302063 /nfs/dbraw/zinc/30/20/63/135302063.db2.gz CXLFVTQEICNWDN-MNOVXSKESA-N 2 0 239.367 -0.440 20 30 BBEDRP C[C@@H](CNC1=[NH+]C[C@H](C)N1)N1CC[NH+](C)CC1 ZINC000262480964 135301988 /nfs/dbraw/zinc/30/19/88/135301988.db2.gz CXLFVTQEICNWDN-QWRGUYRKSA-N 2 0 239.367 -0.440 20 30 BBEDRP C[C@H](CNC1=[NH+]C[C@H](C)N1)N1CC[NH+](C)CC1 ZINC000262480966 135302026 /nfs/dbraw/zinc/30/20/26/135302026.db2.gz CXLFVTQEICNWDN-WDEREUQCSA-N 2 0 239.367 -0.440 20 30 BBEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000262512336 533511373 /nfs/dbraw/zinc/51/13/73/533511373.db2.gz DQEDXAPGSHRXFA-LLVKDONJSA-N 2 0 239.367 -0.287 20 30 BBEDRP C=C(C)CNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000262512337 135119026 /nfs/dbraw/zinc/11/90/26/135119026.db2.gz DQEDXAPGSHRXFA-NSHDSACASA-N 2 0 239.367 -0.287 20 30 BBEDRP CN(C)C(=[NH+]C[C@@H]1C[N@H+](C)CCN1C)N(C)C ZINC000262518570 135304255 /nfs/dbraw/zinc/30/42/55/135304255.db2.gz HOVSUNJEBZHLLU-LLVKDONJSA-N 2 0 241.383 -0.289 20 30 BBEDRP CN(C)C(=[NH+]C[C@H]1C[N@H+](C)CCN1C)N(C)C ZINC000262518595 135304066 /nfs/dbraw/zinc/30/40/66/135304066.db2.gz HOVSUNJEBZHLLU-NSHDSACASA-N 2 0 241.383 -0.289 20 30 BBEDRP C#CCNC(NC[C@@H]1CC[N@H+](C)C1)=[NH+]C ZINC000262602022 533141737 /nfs/dbraw/zinc/14/17/37/533141737.db2.gz CZZUOOAANUSNCO-JTQLQIEISA-N 2 0 208.309 -0.264 20 30 BBEDRP C#CCNC(NC[C@H]1CC[N@H+](C)C1)=[NH+]C ZINC000262602025 533140875 /nfs/dbraw/zinc/14/08/75/533140875.db2.gz CZZUOOAANUSNCO-SNVBAGLBSA-N 2 0 208.309 -0.264 20 30 BBEDRP C#CCNC(NC[C@@H]1CCC[N@@H+]1C)=[NH+]C ZINC000262630972 533141522 /nfs/dbraw/zinc/14/15/22/533141522.db2.gz WJBGKMZRWQGOGH-JTQLQIEISA-N 2 0 208.309 -0.121 20 30 BBEDRP C#CCNC(NC[C@H]1CCC[N@@H+]1C)=[NH+]C ZINC000262630975 533141440 /nfs/dbraw/zinc/14/14/40/533141440.db2.gz WJBGKMZRWQGOGH-SNVBAGLBSA-N 2 0 208.309 -0.121 20 30 BBEDRP CN1CC[NH+]=C1NCCN1CCC[N@H+](C)CC1 ZINC000262646651 135310900 /nfs/dbraw/zinc/31/09/00/135310900.db2.gz JGTSLGSZHKLSJV-UHFFFAOYSA-N 2 0 239.367 -0.485 20 30 BBEDRP C[C@H](CNC1=[NH+]CCN1C)N1CC[NH+](C)CC1 ZINC000262646773 135311193 /nfs/dbraw/zinc/31/11/93/135311193.db2.gz JJGHHEOFKOVNBQ-LLVKDONJSA-N 2 0 239.367 -0.487 20 30 BBEDRP C[C@@H](CNC1=[NH+]CCN1C)N1CC[NH+](C)CC1 ZINC000262646775 135310813 /nfs/dbraw/zinc/31/08/13/135310813.db2.gz JJGHHEOFKOVNBQ-NSHDSACASA-N 2 0 239.367 -0.487 20 30 BBEDRP NC(=[NH2+])NCC(=O)NCC[NH+]1CCCCCC1 ZINC000262652294 135311480 /nfs/dbraw/zinc/31/14/80/135311480.db2.gz RUQRHBUSYYANDB-UHFFFAOYSA-N 2 0 241.339 -0.748 20 30 BBEDRP COCC[N@@H+]1CCC[C@@H]1CNC1=[NH+]CCN1C ZINC000262661870 135311702 /nfs/dbraw/zinc/31/17/02/135311702.db2.gz NDYFHBFVKMOMBD-LLVKDONJSA-N 2 0 240.351 -0.012 20 30 BBEDRP COCC[N@@H+]1CCC[C@H]1CNC1=[NH+]CCN1C ZINC000262661871 135311653 /nfs/dbraw/zinc/31/16/53/135311653.db2.gz NDYFHBFVKMOMBD-NSHDSACASA-N 2 0 240.351 -0.012 20 30 BBEDRP CN1CC[NH+]=C1NCC1([NH+](C)C)CCOCC1 ZINC000262663437 536112253 /nfs/dbraw/zinc/11/22/53/536112253.db2.gz NSHVBQRAGGBOTH-UHFFFAOYSA-N 2 0 240.351 -0.012 20 30 BBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)O ZINC000262667223 535596479 /nfs/dbraw/zinc/59/64/79/535596479.db2.gz PJEXBJROMHJIBD-UWVGGRQHSA-N 2 0 228.340 -0.244 20 30 BBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)O ZINC000262667225 535549181 /nfs/dbraw/zinc/54/91/81/535549181.db2.gz PJEXBJROMHJIBD-VHSXEESVSA-N 2 0 228.340 -0.244 20 30 BBEDRP CC[NH+]1CCN(CCNC2=[NH+]CCN2C)CC1 ZINC000262670586 535674961 /nfs/dbraw/zinc/67/49/61/535674961.db2.gz QRYULWXFQTVQHJ-UHFFFAOYSA-N 2 0 239.367 -0.485 20 30 BBEDRP C=CCNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000262750545 135122146 /nfs/dbraw/zinc/12/21/46/135122146.db2.gz BSWISWXJPOMDGA-JTQLQIEISA-N 2 0 223.324 -0.924 20 30 BBEDRP C=CCNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262750548 135121704 /nfs/dbraw/zinc/12/17/04/135121704.db2.gz BSWISWXJPOMDGA-SNVBAGLBSA-N 2 0 223.324 -0.924 20 30 BBEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262780056 135318151 /nfs/dbraw/zinc/31/81/51/135318151.db2.gz KXMDJQFAYNQJKH-GHMZBOCLSA-N 2 0 239.367 -0.311 20 30 BBEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000262780058 135317966 /nfs/dbraw/zinc/31/79/66/135317966.db2.gz KXMDJQFAYNQJKH-MNOVXSKESA-N 2 0 239.367 -0.311 20 30 BBEDRP CC[C@H](C)NC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000262780059 135318376 /nfs/dbraw/zinc/31/83/76/135318376.db2.gz KXMDJQFAYNQJKH-QWRGUYRKSA-N 2 0 239.367 -0.311 20 30 BBEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262780061 135317973 /nfs/dbraw/zinc/31/79/73/135317973.db2.gz KXMDJQFAYNQJKH-WDEREUQCSA-N 2 0 239.367 -0.311 20 30 BBEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262791877 533510949 /nfs/dbraw/zinc/51/09/49/533510949.db2.gz OHUYZFDHGCVKMA-LLVKDONJSA-N 2 0 237.351 -0.533 20 30 BBEDRP C=C(C)CNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000262791879 135122601 /nfs/dbraw/zinc/12/26/01/135122601.db2.gz OHUYZFDHGCVKMA-NSHDSACASA-N 2 0 237.351 -0.533 20 30 BBEDRP CC(C)(C)NC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000262792888 534662647 /nfs/dbraw/zinc/66/26/47/534662647.db2.gz ORZXIXMYTLIKMU-JTQLQIEISA-N 2 0 239.367 -0.311 20 30 BBEDRP CC(C)(C)NC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262792889 534661686 /nfs/dbraw/zinc/66/16/86/534661686.db2.gz ORZXIXMYTLIKMU-SNVBAGLBSA-N 2 0 239.367 -0.311 20 30 BBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC1CC1 ZINC000262809378 536304104 /nfs/dbraw/zinc/30/41/04/536304104.db2.gz XQYSETPQDFZMIW-LLVKDONJSA-N 2 0 237.351 -0.686 20 30 BBEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC1CC1 ZINC000262809381 536304243 /nfs/dbraw/zinc/30/42/43/536304243.db2.gz XQYSETPQDFZMIW-NSHDSACASA-N 2 0 237.351 -0.686 20 30 BBEDRP C=CCNC(NC[C@@H]1C[NH+]2CCN1CC2)=[NH+]C ZINC000262809545 135122684 /nfs/dbraw/zinc/12/26/84/135122684.db2.gz USUOAVFEDKFXFY-LLVKDONJSA-N 2 0 237.351 -0.663 20 30 BBEDRP C=CCNC(NC[C@H]1C[NH+]2CCN1CC2)=[NH+]C ZINC000262809548 135122947 /nfs/dbraw/zinc/12/29/47/135122947.db2.gz USUOAVFEDKFXFY-NSHDSACASA-N 2 0 237.351 -0.663 20 30 BBEDRP C[NH+]=C(N[C@H]1CCN(CCOC)C1)N(C)C ZINC000262814619 135320261 /nfs/dbraw/zinc/32/02/61/135320261.db2.gz RSOVNWPITYGMNP-JTQLQIEISA-N 2 0 228.340 -0.156 20 30 BBEDRP C[NH+]=C(N[C@@H]1CCN(CCOC)C1)N(C)C ZINC000262814620 135320271 /nfs/dbraw/zinc/32/02/71/135320271.db2.gz RSOVNWPITYGMNP-SNVBAGLBSA-N 2 0 228.340 -0.156 20 30 BBEDRP [NH2+]=C(NCCN1CCC1)N1CCOCC1 ZINC000262815978 135320267 /nfs/dbraw/zinc/32/02/67/135320267.db2.gz WOYUYAMFWBGEGZ-UHFFFAOYSA-N 2 0 212.297 -0.661 20 30 BBEDRP CC(C)NC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000262823756 535123641 /nfs/dbraw/zinc/12/36/41/535123641.db2.gz XTPCKUDQSNTDRL-JTQLQIEISA-N 2 0 225.340 -0.701 20 30 BBEDRP CC(C)NC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262823757 135320247 /nfs/dbraw/zinc/32/02/47/135320247.db2.gz XTPCKUDQSNTDRL-SNVBAGLBSA-N 2 0 225.340 -0.701 20 30 BBEDRP CC(C)CNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262830714 135321108 /nfs/dbraw/zinc/32/11/08/135321108.db2.gz ZSSLQZVXCSIZKN-LLVKDONJSA-N 2 0 239.367 -0.454 20 30 BBEDRP CC(C)CNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000262830715 135320810 /nfs/dbraw/zinc/32/08/10/135320810.db2.gz ZSSLQZVXCSIZKN-NSHDSACASA-N 2 0 239.367 -0.454 20 30 BBEDRP C=CCNC(NC[C@@H]1C[N@H+](C)CCN1C)=[NH+]C ZINC000263059721 135329582 /nfs/dbraw/zinc/32/95/82/135329582.db2.gz HFIYBARNYUDLKF-LLVKDONJSA-N 2 0 239.367 -0.417 20 30 BBEDRP C=CCNC(NC[C@H]1C[N@H+](C)CCN1C)=[NH+]C ZINC000263059722 135329682 /nfs/dbraw/zinc/32/96/82/135329682.db2.gz HFIYBARNYUDLKF-NSHDSACASA-N 2 0 239.367 -0.417 20 30 BBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@@H](O)C1 ZINC000263141065 535597976 /nfs/dbraw/zinc/59/79/76/535597976.db2.gz OGAYZCLXHUBFIR-GARJFASQSA-N 2 0 240.351 -0.102 20 30 BBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H](O)C1 ZINC000263141066 535549516 /nfs/dbraw/zinc/54/95/16/535549516.db2.gz OGAYZCLXHUBFIR-MXWKQRLJSA-N 2 0 240.351 -0.102 20 30 BBEDRP C[N@H+]1CC=C(CNC(=[NH2+])N2CCOCC2)CC1 ZINC000263147354 135125358 /nfs/dbraw/zinc/12/53/58/135125358.db2.gz KYTDUHUFWOIQLV-UHFFFAOYSA-N 2 0 238.335 -0.105 20 30 BBEDRP COCCNC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000263150287 135125301 /nfs/dbraw/zinc/12/53/01/135125301.db2.gz LVJFXNSOJCNFBF-UHFFFAOYSA-N 2 0 226.324 -0.201 20 30 BBEDRP CNC(N[C@@H]1CCN(CCOC)C1)=[NH+]C ZINC000263195106 135338579 /nfs/dbraw/zinc/33/85/79/135338579.db2.gz ZVGKUXZHOHGFDA-SECBINFHSA-N 2 0 214.313 -0.498 20 30 BBEDRP CNC(N[C@H]1CCN(CCOC)C1)=[NH+]C ZINC000263195108 135338571 /nfs/dbraw/zinc/33/85/71/135338571.db2.gz ZVGKUXZHOHGFDA-VIFPVBQESA-N 2 0 214.313 -0.498 20 30 BBEDRP C=CCNC(=[NH2+])NC[C@@H](O)C[NH+]1CCCCC1 ZINC000264063392 135130943 /nfs/dbraw/zinc/13/09/43/135130943.db2.gz ACMJVEILACUGQO-LLVKDONJSA-N 2 0 240.351 -0.077 20 30 BBEDRP C=CCNC(=[NH2+])NC[C@H](O)C[NH+]1CCCCC1 ZINC000264063394 534843785 /nfs/dbraw/zinc/84/37/85/534843785.db2.gz ACMJVEILACUGQO-NSHDSACASA-N 2 0 240.351 -0.077 20 30 BBEDRP NC(=[NH2+])NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264066266 135131350 /nfs/dbraw/zinc/13/13/50/135131350.db2.gz BFNJNWJQDYVDHS-GFCCVEGCSA-N 2 0 248.330 -0.321 20 30 BBEDRP NC(=[NH2+])NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264066268 135131082 /nfs/dbraw/zinc/13/10/82/135131082.db2.gz BFNJNWJQDYVDHS-LBPRGKRZSA-N 2 0 248.330 -0.321 20 30 BBEDRP C=CCNC(=[NH2+])NCCN1CC[NH+](CC)CC1 ZINC000264075514 135131562 /nfs/dbraw/zinc/13/15/62/135131562.db2.gz FMEYLEFBIDWAAB-UHFFFAOYSA-N 2 0 239.367 -0.286 20 30 BBEDRP CNC(=[NH2+])NCc1ccc(CNC(=[NH2+])NC)cc1 ZINC000274150409 386077225 /nfs/dbraw/zinc/07/72/25/386077225.db2.gz CDZOVSIQNZMUQN-UHFFFAOYSA-N 2 0 248.334 -0.245 20 30 BBEDRP C=CCNC(=[NH2+])NCCCN(C)CC[NH+](C)C ZINC000288757515 352164316 /nfs/dbraw/zinc/16/43/16/352164316.db2.gz RVOUWCOSBQXNDO-UHFFFAOYSA-N 2 0 241.383 -0.040 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)C[NH+](C)C ZINC000294080518 533098866 /nfs/dbraw/zinc/09/88/66/533098866.db2.gz WSADMAURZNUDTJ-UHFFFAOYSA-N 2 0 211.309 -0.381 20 30 BBEDRP COCCNC(=[NH2+])NCCC[NH+](C)C ZINC000303256303 644813807 /nfs/dbraw/zinc/81/38/07/644813807.db2.gz HXSWVOUKRBUACQ-UHFFFAOYSA-N 2 0 202.302 -0.511 20 30 BBEDRP C[C@@H]1C[N@@H+](CCCNC(N)=[NH2+])C[C@H](C)O1 ZINC000303262751 136215184 /nfs/dbraw/zinc/21/51/84/136215184.db2.gz QFZRUGBPXYTLSS-DTORHVGOSA-N 2 0 214.313 -0.241 20 30 BBEDRP C[C@H]1C[NH+](CCCNC(N)=[NH2+])C[C@H](C)O1 ZINC000303262753 136215225 /nfs/dbraw/zinc/21/52/25/136215225.db2.gz QFZRUGBPXYTLSS-IUCAKERBSA-N 2 0 214.313 -0.241 20 30 BBEDRP C[C@@H]1C[NH+](CCCNC(N)=[NH2+])C[C@@H](C)O1 ZINC000303262754 388350269 /nfs/dbraw/zinc/35/02/69/388350269.db2.gz QFZRUGBPXYTLSS-RKDXNWHRSA-N 2 0 214.313 -0.241 20 30 BBEDRP CNC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000303268208 636305993 /nfs/dbraw/zinc/30/59/93/636305993.db2.gz YLRMBOZVWAWNBN-UHFFFAOYSA-N 2 0 214.313 -0.367 20 30 BBEDRP CNC(=[NH2+])NCCC[N@H+](C)CCOC ZINC000303360976 644819001 /nfs/dbraw/zinc/81/90/01/644819001.db2.gz CAFRDYIDYVBLPL-UHFFFAOYSA-N 2 0 202.302 -0.511 20 30 BBEDRP CNC(NCCCN1CCC[N@H+](C)CC1)=[NH+]C ZINC000303367058 644817828 /nfs/dbraw/zinc/81/78/28/644817828.db2.gz HNHPOPOKBHWORD-UHFFFAOYSA-N 2 0 241.383 -0.191 20 30 BBEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])NC2CC2)CC1 ZINC000303367786 134233838 /nfs/dbraw/zinc/23/38/38/134233838.db2.gz IGSNVMZUZFPTHY-UHFFFAOYSA-N 2 0 239.367 -0.309 20 30 BBEDRP CC[NH+]1CCN([C@H](C)CNC(NC)=[NH+]C)CC1 ZINC000303368288 644818348 /nfs/dbraw/zinc/81/83/48/644818348.db2.gz IRVQGFIUVVMYED-LLVKDONJSA-N 2 0 241.383 -0.193 20 30 BBEDRP CC[NH+]1CCN([C@@H](C)CNC(NC)=[NH+]C)CC1 ZINC000303368289 644819182 /nfs/dbraw/zinc/81/91/82/644819182.db2.gz IRVQGFIUVVMYED-NSHDSACASA-N 2 0 241.383 -0.193 20 30 BBEDRP CC[NH+]1CCN(CCNC(NC)=[NH+]C)CC1 ZINC000303369522 644818453 /nfs/dbraw/zinc/81/84/53/644818453.db2.gz JUBNDEZGRQSBCH-UHFFFAOYSA-N 2 0 227.356 -0.581 20 30 BBEDRP CC[NH+]1CCN(CCNC(=[NH2+])NC2CC2)CC1 ZINC000303371329 644820443 /nfs/dbraw/zinc/82/04/43/644820443.db2.gz KVMRCPVZOIHPES-UHFFFAOYSA-N 2 0 239.367 -0.309 20 30 BBEDRP CNC(NCCN1CCC[N@H+](C)CC1)=[NH+]C ZINC000303376615 134233599 /nfs/dbraw/zinc/23/35/99/134233599.db2.gz OULRGQOAHGQDBR-UHFFFAOYSA-N 2 0 227.356 -0.581 20 30 BBEDRP CNC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303382523 636308846 /nfs/dbraw/zinc/30/88/46/636308846.db2.gz SMTWFWUWKIIFCW-UHFFFAOYSA-N 2 0 227.356 -0.452 20 30 BBEDRP COCCNC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000303383125 644819536 /nfs/dbraw/zinc/81/95/36/644819536.db2.gz SYRTXOOMPSDEEA-UHFFFAOYSA-N 2 0 228.340 -0.121 20 30 BBEDRP CNC(NC[C@@H](C)C[NH+]1CCN(C)CC1)=[NH+]C ZINC000303383149 636307809 /nfs/dbraw/zinc/30/78/09/636307809.db2.gz SZZHMYZYJFFHQH-LLVKDONJSA-N 2 0 241.383 -0.335 20 30 BBEDRP CNC(NC[C@H](C)C[NH+]1CCN(C)CC1)=[NH+]C ZINC000303383150 636307591 /nfs/dbraw/zinc/30/75/91/636307591.db2.gz SZZHMYZYJFFHQH-NSHDSACASA-N 2 0 241.383 -0.335 20 30 BBEDRP C[C@@H](CNC(=[NH2+])NC1CC1)N1CC[NH+](C)CC1 ZINC000303393189 636308766 /nfs/dbraw/zinc/30/87/66/636308766.db2.gz FVFAEUYRUMHRMW-JTQLQIEISA-N 2 0 239.367 -0.311 20 30 BBEDRP C[C@H](CNC(=[NH2+])NC1CC1)N1CC[NH+](C)CC1 ZINC000303393191 644820780 /nfs/dbraw/zinc/82/07/80/644820780.db2.gz FVFAEUYRUMHRMW-SNVBAGLBSA-N 2 0 239.367 -0.311 20 30 BBEDRP CNC(NC[C@H](C)N1CC[NH+](C)CC1)=[NH+]C ZINC000303399519 644819505 /nfs/dbraw/zinc/81/95/05/644819505.db2.gz KFEQOSILICVKTE-JTQLQIEISA-N 2 0 227.356 -0.583 20 30 BBEDRP CNC(NC[C@@H](C)N1CC[NH+](C)CC1)=[NH+]C ZINC000303399522 644820012 /nfs/dbraw/zinc/82/00/12/644820012.db2.gz KFEQOSILICVKTE-SNVBAGLBSA-N 2 0 227.356 -0.583 20 30 BBEDRP C[NH+](C)CCCNC(=[NH2+])N1CCOCC1 ZINC000303690743 644838465 /nfs/dbraw/zinc/83/84/65/644838465.db2.gz AAPNZOFCRABDTP-UHFFFAOYSA-N 2 0 214.313 -0.415 20 30 BBEDRP CC[NH+](CC)CCNC(=[NH2+])N1CCOCC1 ZINC000303715307 644841096 /nfs/dbraw/zinc/84/10/96/644841096.db2.gz RZTJONIMKNWXCH-UHFFFAOYSA-N 2 0 228.340 -0.025 20 30 BBEDRP C[NH+](C)C(C)(C)CNC(=[NH2+])N1CCOCC1 ZINC000303781659 644846863 /nfs/dbraw/zinc/84/68/63/644846863.db2.gz MOEPOLAKVRBTLE-UHFFFAOYSA-N 2 0 228.340 -0.027 20 30 BBEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000303867693 644850353 /nfs/dbraw/zinc/85/03/53/644850353.db2.gz ADYMEJPZCBWNOC-NXEZZACHSA-N 2 0 228.340 -0.123 20 30 BBEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000303867705 644851638 /nfs/dbraw/zinc/85/16/38/644851638.db2.gz ADYMEJPZCBWNOC-UWVGGRQHSA-N 2 0 228.340 -0.123 20 30 BBEDRP COC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000303867707 644850339 /nfs/dbraw/zinc/85/03/39/644850339.db2.gz ADYMEJPZCBWNOC-VHSXEESVSA-N 2 0 228.340 -0.123 20 30 BBEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000303867709 644851132 /nfs/dbraw/zinc/85/11/32/644851132.db2.gz ADYMEJPZCBWNOC-ZJUUUORDSA-N 2 0 228.340 -0.123 20 30 BBEDRP CC[NH+]1CCN(CCNC(=[NH2+])NC(C)C)CC1 ZINC000303868860 644850792 /nfs/dbraw/zinc/85/07/92/644850792.db2.gz AMMBRLLNOIXRNP-UHFFFAOYSA-N 2 0 241.383 -0.063 20 30 BBEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000303877430 644853226 /nfs/dbraw/zinc/85/32/26/644853226.db2.gz FGCZBXSIPUOMCW-JTQLQIEISA-N 2 0 226.324 -0.415 20 30 BBEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000303877431 644852706 /nfs/dbraw/zinc/85/27/06/644852706.db2.gz FGCZBXSIPUOMCW-SNVBAGLBSA-N 2 0 226.324 -0.415 20 30 BBEDRP CCCNC(=[NH2+])NCCN1CC[NH+](CC)CC1 ZINC000303878215 644852844 /nfs/dbraw/zinc/85/28/44/644852844.db2.gz FWBKFNYLTKLWPP-UHFFFAOYSA-N 2 0 241.383 -0.062 20 30 BBEDRP CCCNC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000303880178 134235102 /nfs/dbraw/zinc/23/51/02/134235102.db2.gz KCBPAWQCAYIMSI-UHFFFAOYSA-N 2 0 241.383 -0.062 20 30 BBEDRP C[NH+]1CCC(CNC(=[NH2+])N2CCOCC2)CC1 ZINC000303890041 644854932 /nfs/dbraw/zinc/85/49/32/644854932.db2.gz PVIAHAFNMAQHPK-UHFFFAOYSA-N 2 0 240.351 -0.025 20 30 BBEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000303905420 636316754 /nfs/dbraw/zinc/31/67/54/636316754.db2.gz VOIRTFIPZPBJLB-LLVKDONJSA-N 2 0 240.351 -0.025 20 30 BBEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000303905422 644855717 /nfs/dbraw/zinc/85/57/17/644855717.db2.gz VOIRTFIPZPBJLB-NSHDSACASA-N 2 0 240.351 -0.025 20 30 BBEDRP CC(C)NC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000303978758 644863700 /nfs/dbraw/zinc/86/37/00/644863700.db2.gz MODRKCGZOMQSJM-LLVKDONJSA-N 2 0 241.383 -0.065 20 30 BBEDRP CC(C)NC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000303978761 644863181 /nfs/dbraw/zinc/86/31/81/644863181.db2.gz MODRKCGZOMQSJM-NSHDSACASA-N 2 0 241.383 -0.065 20 30 BBEDRP CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCOC ZINC000303982749 644863416 /nfs/dbraw/zinc/86/34/16/644863416.db2.gz QNWWRFTZDRDWOZ-SECBINFHSA-N 2 0 214.313 -0.369 20 30 BBEDRP CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCOC ZINC000303982750 644863324 /nfs/dbraw/zinc/86/33/24/644863324.db2.gz QNWWRFTZDRDWOZ-VIFPVBQESA-N 2 0 214.313 -0.369 20 30 BBEDRP CCCNC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000303987824 636321623 /nfs/dbraw/zinc/32/16/23/636321623.db2.gz VWNQKSDYYIYVBO-LLVKDONJSA-N 2 0 241.383 -0.063 20 30 BBEDRP CCCNC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000303987825 644863932 /nfs/dbraw/zinc/86/39/32/644863932.db2.gz VWNQKSDYYIYVBO-NSHDSACASA-N 2 0 241.383 -0.063 20 30 BBEDRP COCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000303992778 636319775 /nfs/dbraw/zinc/31/97/75/636319775.db2.gz NLPRZPZNBNEOBB-JTQLQIEISA-N 2 0 228.340 -0.121 20 30 BBEDRP COCCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000303992779 636320886 /nfs/dbraw/zinc/32/08/86/636320886.db2.gz NLPRZPZNBNEOBB-SNVBAGLBSA-N 2 0 228.340 -0.121 20 30 BBEDRP CNC(NCC1([NH+](C)C)CCOCC1)=[NH+]C ZINC000303993588 644863959 /nfs/dbraw/zinc/86/39/59/644863959.db2.gz BMTQHKRASYXXII-UHFFFAOYSA-N 2 0 228.340 -0.108 20 30 BBEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000304751911 644929803 /nfs/dbraw/zinc/92/98/03/644929803.db2.gz JSCZREWIAADKTM-LLVKDONJSA-N 2 0 240.351 -0.025 20 30 BBEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000304751913 644928770 /nfs/dbraw/zinc/92/87/70/644928770.db2.gz JSCZREWIAADKTM-NSHDSACASA-N 2 0 240.351 -0.025 20 30 BBEDRP CNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304753463 636323685 /nfs/dbraw/zinc/32/36/85/636323685.db2.gz YJNMKIBEUAQDSG-UHFFFAOYSA-N 2 0 227.356 -0.454 20 30 BBEDRP CCO[C@H](CC[NH+](C)C)CNC(N)=[NH2+] ZINC000304828270 528031842 /nfs/dbraw/zinc/03/18/42/528031842.db2.gz IRYDGLHGQPMKOQ-MRVPVSSYSA-N 2 0 202.302 -0.383 20 30 BBEDRP CCO[C@@H](CC[NH+](C)C)CNC(N)=[NH2+] ZINC000304828271 527712793 /nfs/dbraw/zinc/71/27/93/527712793.db2.gz IRYDGLHGQPMKOQ-QMMMGPOBSA-N 2 0 202.302 -0.383 20 30 BBEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NC ZINC000304852835 644936532 /nfs/dbraw/zinc/93/65/32/644936532.db2.gz YSCJVPMVBXCOBD-SECBINFHSA-N 2 0 216.329 -0.123 20 30 BBEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NC ZINC000304852837 644937264 /nfs/dbraw/zinc/93/72/64/644937264.db2.gz YSCJVPMVBXCOBD-VIFPVBQESA-N 2 0 216.329 -0.123 20 30 BBEDRP CCCNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000305177060 385201331 /nfs/dbraw/zinc/20/13/31/385201331.db2.gz GODFFKGWSUNVLB-JTQLQIEISA-N 2 0 225.340 -0.700 20 30 BBEDRP CCCNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000305177061 385200418 /nfs/dbraw/zinc/20/04/18/385200418.db2.gz GODFFKGWSUNVLB-SNVBAGLBSA-N 2 0 225.340 -0.700 20 30 BBEDRP CCN(CC)C(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000305190177 535389545 /nfs/dbraw/zinc/38/95/45/535389545.db2.gz JRDHNIICRSAXFY-LLVKDONJSA-N 2 0 239.367 -0.357 20 30 BBEDRP CCN(CC)C(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000305190180 535389784 /nfs/dbraw/zinc/38/97/84/535389784.db2.gz JRDHNIICRSAXFY-NSHDSACASA-N 2 0 239.367 -0.357 20 30 BBEDRP CCCCNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000305222193 134240798 /nfs/dbraw/zinc/24/07/98/134240798.db2.gz UIDYJVQGXTVPAZ-LLVKDONJSA-N 2 0 239.367 -0.309 20 30 BBEDRP CCCCNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000305222198 535262418 /nfs/dbraw/zinc/26/24/18/535262418.db2.gz UIDYJVQGXTVPAZ-NSHDSACASA-N 2 0 239.367 -0.309 20 30 BBEDRP CNC(=[NH2+])NCCCCCCNC(=[NH2+])NC ZINC000305791464 642695528 /nfs/dbraw/zinc/69/55/28/642695528.db2.gz BUVDJTBUDXQKCP-UHFFFAOYSA-N 2 0 228.344 -0.385 20 30 BBEDRP CNC(=[NH2+])NCc1cccc(CNC(=[NH2+])NC)c1 ZINC000305793316 642694825 /nfs/dbraw/zinc/69/48/25/642694825.db2.gz MWSMUJFNROHSHS-UHFFFAOYSA-N 2 0 248.334 -0.245 20 30 BBEDRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000309274938 633880887 /nfs/dbraw/zinc/88/08/87/633880887.db2.gz LXHKNIVVJRPEPA-CIUDSAMLSA-N 2 0 210.281 -0.803 20 30 BBEDRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000309274940 633880280 /nfs/dbraw/zinc/88/02/80/633880280.db2.gz LXHKNIVVJRPEPA-HLTSFMKQSA-N 2 0 210.281 -0.803 20 30 BBEDRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000309274942 632877851 /nfs/dbraw/zinc/87/78/51/632877851.db2.gz LXHKNIVVJRPEPA-VGMNWLOBSA-N 2 0 210.281 -0.803 20 30 BBEDRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000309274944 631983362 /nfs/dbraw/zinc/98/33/62/631983362.db2.gz LXHKNIVVJRPEPA-YIZRAAEISA-N 2 0 210.281 -0.803 20 30 BBEDRP CC(C)(C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000309318205 632930872 /nfs/dbraw/zinc/93/08/72/632930872.db2.gz ZNQWQFSLLJIMMY-HTQZYQBOSA-N 2 0 210.281 -0.801 20 30 BBEDRP CC(C)(C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000309318208 631991304 /nfs/dbraw/zinc/99/13/04/631991304.db2.gz ZNQWQFSLLJIMMY-JGVFFNPUSA-N 2 0 210.281 -0.801 20 30 BBEDRP CC(C)(C[NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000309318210 632929466 /nfs/dbraw/zinc/92/94/66/632929466.db2.gz ZNQWQFSLLJIMMY-SFYZADRCSA-N 2 0 210.281 -0.801 20 30 BBEDRP CC(C)(C[NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000309318212 632929679 /nfs/dbraw/zinc/92/96/79/632929679.db2.gz ZNQWQFSLLJIMMY-YUMQZZPRSA-N 2 0 210.281 -0.801 20 30 BBEDRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000309422050 633050661 /nfs/dbraw/zinc/05/06/61/633050661.db2.gz JXSDVTSCYMLJNS-JBDRJPRFSA-N 2 0 210.281 -0.803 20 30 BBEDRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000309422052 633049287 /nfs/dbraw/zinc/04/92/87/633049287.db2.gz JXSDVTSCYMLJNS-MAUMQABQSA-N 2 0 210.281 -0.803 20 30 BBEDRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000309422054 633050143 /nfs/dbraw/zinc/05/01/43/633050143.db2.gz JXSDVTSCYMLJNS-RBXMUDONSA-N 2 0 210.281 -0.803 20 30 BBEDRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000309422057 633050508 /nfs/dbraw/zinc/05/05/08/633050508.db2.gz JXSDVTSCYMLJNS-XSPKLOCKSA-N 2 0 210.281 -0.803 20 30 BBEDRP COCCNC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000309528195 632467584 /nfs/dbraw/zinc/46/75/84/632467584.db2.gz VHZROLMXXWMPCD-UHFFFAOYSA-N 2 0 216.329 -0.075 20 30 BBEDRP C[NH2+]CCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000309653766 633984670 /nfs/dbraw/zinc/98/46/70/633984670.db2.gz UUECTPUKAXLLQH-BDAKNGLRSA-N 2 0 210.281 -0.786 20 30 BBEDRP C[NH2+]CCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000309653768 632620347 /nfs/dbraw/zinc/62/03/47/632620347.db2.gz UUECTPUKAXLLQH-DTWKUNHWSA-N 2 0 210.281 -0.786 20 30 BBEDRP C[NH2+]CCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000309653770 632619012 /nfs/dbraw/zinc/61/90/12/632619012.db2.gz UUECTPUKAXLLQH-IUCAKERBSA-N 2 0 210.281 -0.786 20 30 BBEDRP C[NH2+]CCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000309653771 632620182 /nfs/dbraw/zinc/62/01/82/632620182.db2.gz UUECTPUKAXLLQH-RKDXNWHRSA-N 2 0 210.281 -0.786 20 30 BBEDRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000309777069 632668794 /nfs/dbraw/zinc/66/87/94/632668794.db2.gz LXHKNIVVJRPEPA-DJLDLDEBSA-N 2 0 210.281 -0.803 20 30 BBEDRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000309777074 632669066 /nfs/dbraw/zinc/66/90/66/632669066.db2.gz LXHKNIVVJRPEPA-HRDYMLBCSA-N 2 0 210.281 -0.803 20 30 BBEDRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000309777081 634006236 /nfs/dbraw/zinc/00/62/36/634006236.db2.gz LXHKNIVVJRPEPA-IWSPIJDZSA-N 2 0 210.281 -0.803 20 30 BBEDRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000309777085 634006296 /nfs/dbraw/zinc/00/62/96/634006296.db2.gz LXHKNIVVJRPEPA-XHNCKOQMSA-N 2 0 210.281 -0.803 20 30 BBEDRP C=CC[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000321086693 386821478 /nfs/dbraw/zinc/82/14/78/386821478.db2.gz CNYCBQNPAIPHRE-NEPJUHHUSA-N 2 0 228.336 -0.030 20 30 BBEDRP C=CC[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000321086694 386679758 /nfs/dbraw/zinc/67/97/58/386679758.db2.gz CNYCBQNPAIPHRE-NWDGAFQWSA-N 2 0 228.336 -0.030 20 30 BBEDRP C=CC[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000321086696 386679576 /nfs/dbraw/zinc/67/95/76/386679576.db2.gz CNYCBQNPAIPHRE-RYUDHWBXSA-N 2 0 228.336 -0.030 20 30 BBEDRP C=CC[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000321086697 386679105 /nfs/dbraw/zinc/67/91/05/386679105.db2.gz CNYCBQNPAIPHRE-VXGBXAGGSA-N 2 0 228.336 -0.030 20 30 BBEDRP C=CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000327983923 364803303 /nfs/dbraw/zinc/80/33/03/364803303.db2.gz FNDDCCMDEMVLBX-SECBINFHSA-N 2 0 212.297 -0.543 20 30 BBEDRP C=CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000327983924 364803542 /nfs/dbraw/zinc/80/35/42/364803542.db2.gz FNDDCCMDEMVLBX-VIFPVBQESA-N 2 0 212.297 -0.543 20 30 BBEDRP C#CC[N@@H+](C)CCCNC1=[NH+]CCN1C ZINC000328268043 324366748 /nfs/dbraw/zinc/36/67/48/324366748.db2.gz MYSQJIOVDUGJRY-UHFFFAOYSA-N 2 0 208.309 -0.168 20 30 BBEDRP C#CC[N@@H+](C)CCCNC1=[NH+]C[C@H](C)N1 ZINC000328291520 388590248 /nfs/dbraw/zinc/59/02/48/388590248.db2.gz RRKQQLOAPDFXRQ-JTQLQIEISA-N 2 0 208.309 -0.121 20 30 BBEDRP C#CC[N@@H+](C)CCCNC1=[NH+]C[C@@H](C)N1 ZINC000328291522 388590488 /nfs/dbraw/zinc/59/04/88/388590488.db2.gz RRKQQLOAPDFXRQ-SNVBAGLBSA-N 2 0 208.309 -0.121 20 30 BBEDRP C[NH+](C)CC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000330685969 386829438 /nfs/dbraw/zinc/82/94/38/386829438.db2.gz LWAVYSXSKKRZIW-UHFFFAOYSA-N 2 0 238.335 -0.100 20 30 BBEDRP C=CCNC(=O)CNCc1cncn1C ZINC000336725364 365364600 /nfs/dbraw/zinc/36/46/00/365364600.db2.gz GIPWNNRGANTXQV-UHFFFAOYSA-N 2 0 208.265 -0.188 20 30 BBEDRP CC[NH+](CC#CC[N@H+](CC)CCO)CCO ZINC000341872988 535766569 /nfs/dbraw/zinc/76/65/69/535766569.db2.gz QLNHBVUPFPZZQT-UHFFFAOYSA-N 2 0 228.336 -0.382 20 30 BBEDRP C[C@@H](CO)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)CO ZINC000342084094 135247553 /nfs/dbraw/zinc/24/75/53/135247553.db2.gz CFICODHXCGXFJA-RYUDHWBXSA-N 2 0 228.336 -0.385 20 30 BBEDRP C[C@H](CO)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)CO ZINC000342084095 135247699 /nfs/dbraw/zinc/24/76/99/135247699.db2.gz CFICODHXCGXFJA-TXEJJXNPSA-N 2 0 228.336 -0.385 20 30 BBEDRP C[C@H](CO)[NH+](C)CC#CC[N@@H+](C)[C@H](C)CO ZINC000342084096 135248009 /nfs/dbraw/zinc/24/80/09/135248009.db2.gz CFICODHXCGXFJA-VXGBXAGGSA-N 2 0 228.336 -0.385 20 30 BBEDRP C[NH+](CC#CC[N@H+](C)CCCO)CCCO ZINC000342134182 135249160 /nfs/dbraw/zinc/24/91/60/135249160.db2.gz QDOUEGATLQYTQW-UHFFFAOYSA-N 2 0 228.336 -0.382 20 30 BBEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C[NH3+])OC)CC1 ZINC000353451999 166352057 /nfs/dbraw/zinc/35/20/57/166352057.db2.gz QFURORDKAOBFNH-LLVKDONJSA-N 2 0 241.335 -0.273 20 30 BBEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C[NH3+])OC)CC1 ZINC000353452013 166354110 /nfs/dbraw/zinc/35/41/10/166354110.db2.gz QFURORDKAOBFNH-NSHDSACASA-N 2 0 241.335 -0.273 20 30 BBEDRP C[C@H](O)C[NH+](C)CC#CC[N@@H+](C)C[C@H](C)O ZINC000361505974 134205935 /nfs/dbraw/zinc/20/59/35/134205935.db2.gz YRFPVDXVRZYTFK-RYUDHWBXSA-N 2 0 228.336 -0.385 20 30 BBEDRP C[C@@H](O)C[N@H+](C)CC#CC[NH+](C)C[C@H](C)O ZINC000361505975 134205858 /nfs/dbraw/zinc/20/58/58/134205858.db2.gz YRFPVDXVRZYTFK-TXEJJXNPSA-N 2 0 228.336 -0.385 20 30 BBEDRP C[C@@H](O)C[NH+](C)CC#CC[N@@H+](C)C[C@@H](C)O ZINC000361505976 134205836 /nfs/dbraw/zinc/20/58/36/134205836.db2.gz YRFPVDXVRZYTFK-VXGBXAGGSA-N 2 0 228.336 -0.385 20 30 BBEDRP C[C@H]([NH3+])CCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000381487690 710645183 /nfs/dbraw/zinc/64/51/83/710645183.db2.gz VZLQGISVTTZYAN-CIUDSAMLSA-N 2 0 210.281 -0.658 20 30 BBEDRP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000381487693 710644525 /nfs/dbraw/zinc/64/45/25/710644525.db2.gz VZLQGISVTTZYAN-DJLDLDEBSA-N 2 0 210.281 -0.658 20 30 BBEDRP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000381487695 710645513 /nfs/dbraw/zinc/64/55/13/710645513.db2.gz VZLQGISVTTZYAN-XHNCKOQMSA-N 2 0 210.281 -0.658 20 30 BBEDRP C[C@H]([NH3+])CCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000381487697 710645597 /nfs/dbraw/zinc/64/55/97/710645597.db2.gz VZLQGISVTTZYAN-YIZRAAEISA-N 2 0 210.281 -0.658 20 30 BBEDRP CNC(NCCNc1cc[nH+]cc1)=[NH+]C ZINC000381590149 710660112 /nfs/dbraw/zinc/66/01/12/710660112.db2.gz JDFNQLJUIHMBEQ-UHFFFAOYSA-N 2 0 207.281 -0.290 20 30 BBEDRP C[NH2+]C[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000381634052 710663980 /nfs/dbraw/zinc/66/39/80/710663980.db2.gz SYNCBFRZHKKBSF-CIUDSAMLSA-N 2 0 210.281 -0.930 20 30 BBEDRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000381634053 710664637 /nfs/dbraw/zinc/66/46/37/710664637.db2.gz SYNCBFRZHKKBSF-DJLDLDEBSA-N 2 0 210.281 -0.930 20 30 BBEDRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000381634054 710664777 /nfs/dbraw/zinc/66/47/77/710664777.db2.gz SYNCBFRZHKKBSF-XHNCKOQMSA-N 2 0 210.281 -0.930 20 30 BBEDRP C[NH2+]C[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000381634055 710664011 /nfs/dbraw/zinc/66/40/11/710664011.db2.gz SYNCBFRZHKKBSF-YIZRAAEISA-N 2 0 210.281 -0.930 20 30 BBEDRP C[C@H](CC#N)NCC(=O)N1CCN(C)CC1 ZINC000381644857 346534676 /nfs/dbraw/zinc/53/46/76/346534676.db2.gz BKAIABLQJFDSNN-SNVBAGLBSA-N 2 0 224.308 -0.348 20 30 BBEDRP C=CCNC(=O)NC(=O)CN(C)C1CC([NH3+])C1 ZINC000385184285 367806319 /nfs/dbraw/zinc/80/63/19/367806319.db2.gz NQUCLTHKTFKYPR-UHFFFAOYSA-N 2 0 240.307 -0.580 20 30 BBEDRP C#CC[N@H+](C)CCCNC1=[NH+]CCCN1 ZINC000385923046 367882435 /nfs/dbraw/zinc/88/24/35/367882435.db2.gz ANNFTXKDOVISBB-UHFFFAOYSA-N 2 0 208.309 -0.120 20 30 BBEDRP CNC(NC[C@@H]1C[N@H+](C)CCN1C)=[NH+]C ZINC000386104598 711022074 /nfs/dbraw/zinc/02/20/74/711022074.db2.gz KJLJJGWZFWYVDN-SECBINFHSA-N 2 0 213.329 -0.973 20 30 BBEDRP CNC(NC[C@H]1C[N@H+](C)CCN1C)=[NH+]C ZINC000386104605 711021832 /nfs/dbraw/zinc/02/18/32/711021832.db2.gz KJLJJGWZFWYVDN-VIFPVBQESA-N 2 0 213.329 -0.973 20 30 BBEDRP CNC(NC[C@@](C)(O)C[NH+](C)C)=[NH+]C ZINC000386260810 711025923 /nfs/dbraw/zinc/02/59/23/711025923.db2.gz KJCSQOLFNRWOOB-SECBINFHSA-N 2 0 202.302 -0.906 20 30 BBEDRP CNC(NC[C@](C)(O)C[NH+](C)C)=[NH+]C ZINC000386260830 711026834 /nfs/dbraw/zinc/02/68/34/711026834.db2.gz KJCSQOLFNRWOOB-VIFPVBQESA-N 2 0 202.302 -0.906 20 30 BBEDRP C#CC[N@@H+](C)CCCNCc1cnnn1C ZINC000392766116 711152299 /nfs/dbraw/zinc/15/22/99/711152299.db2.gz GJPPKRCMIHARNT-UHFFFAOYSA-N 2 0 221.308 -0.140 20 30 BBEDRP C#CCNC(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000393917293 710827409 /nfs/dbraw/zinc/82/74/09/710827409.db2.gz XGHQNKAKANYRAW-GHMZBOCLSA-N 2 0 221.304 -0.723 20 30 BBEDRP C#CCNC(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000393917294 711679847 /nfs/dbraw/zinc/67/98/47/711679847.db2.gz XGHQNKAKANYRAW-PHIMTYICSA-N 2 0 221.304 -0.723 20 30 BBEDRP C#CCNC(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000393917295 711679802 /nfs/dbraw/zinc/67/98/02/711679802.db2.gz XGHQNKAKANYRAW-QWRGUYRKSA-N 2 0 221.304 -0.723 20 30 BBEDRP CCNC(NC[C@@H]1C[N@H+](C)CCN1C)=[NH+]CC ZINC000395523263 711210960 /nfs/dbraw/zinc/21/09/60/711210960.db2.gz ANQMZUUMKVZQCG-LLVKDONJSA-N 2 0 241.383 -0.193 20 30 BBEDRP CCNC(NC[C@H]1C[N@H+](C)CCN1C)=[NH+]CC ZINC000395523268 711211138 /nfs/dbraw/zinc/21/11/38/711211138.db2.gz ANQMZUUMKVZQCG-NSHDSACASA-N 2 0 241.383 -0.193 20 30 BBEDRP CCNC(NC[C@@](C)(O)C[NH+](C)C)=[NH+]CC ZINC000395560297 711213322 /nfs/dbraw/zinc/21/33/22/711213322.db2.gz FQRQASUUDJVKFR-LLVKDONJSA-N 2 0 230.356 -0.126 20 30 BBEDRP CCNC(NC[C@](C)(O)C[NH+](C)C)=[NH+]CC ZINC000395560298 711212680 /nfs/dbraw/zinc/21/26/80/711212680.db2.gz FQRQASUUDJVKFR-NSHDSACASA-N 2 0 230.356 -0.126 20 30 BBEDRP C=CCCS(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420447172 192243099 /nfs/dbraw/zinc/24/30/99/192243099.db2.gz CMUPPFVPGYYGSP-UHFFFAOYSA-N 2 0 249.380 -0.108 20 30 BBEDRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424057923 387472715 /nfs/dbraw/zinc/47/27/15/387472715.db2.gz KIYCZMSJWIDZGR-NXEZZACHSA-N 2 0 224.308 -0.172 20 30 BBEDRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424057941 387472998 /nfs/dbraw/zinc/47/29/98/387472998.db2.gz KIYCZMSJWIDZGR-UWVGGRQHSA-N 2 0 224.308 -0.172 20 30 BBEDRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424057943 387472016 /nfs/dbraw/zinc/47/20/16/387472016.db2.gz KIYCZMSJWIDZGR-VHSXEESVSA-N 2 0 224.308 -0.172 20 30 BBEDRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424057947 387471587 /nfs/dbraw/zinc/47/15/87/387471587.db2.gz KIYCZMSJWIDZGR-ZJUUUORDSA-N 2 0 224.308 -0.172 20 30 BBEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[NH2+]1 ZINC000424074042 387478367 /nfs/dbraw/zinc/47/83/67/387478367.db2.gz GMUYMCXZFOXFKU-NXEZZACHSA-N 2 0 224.308 -0.172 20 30 BBEDRP C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[NH2+]1 ZINC000424074044 387478958 /nfs/dbraw/zinc/47/89/58/387478958.db2.gz GMUYMCXZFOXFKU-UWVGGRQHSA-N 2 0 224.308 -0.172 20 30 BBEDRP C[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[NH2+]1 ZINC000424074045 387479088 /nfs/dbraw/zinc/47/90/88/387479088.db2.gz GMUYMCXZFOXFKU-VHSXEESVSA-N 2 0 224.308 -0.172 20 30 BBEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[NH2+]1 ZINC000424074047 387477632 /nfs/dbraw/zinc/47/76/32/387477632.db2.gz GMUYMCXZFOXFKU-ZJUUUORDSA-N 2 0 224.308 -0.172 20 30 BBEDRP CN(C(=O)[C@@H]([NH3+])CCCC#N)C1CC([NH3+])C1 ZINC000424181528 200878009 /nfs/dbraw/zinc/87/80/09/200878009.db2.gz XXCJSSCMMPVEOL-RTBKNWGFSA-N 2 0 224.308 -0.044 20 30 BBEDRP CN(C(=O)[C@H]([NH3+])CCCC#N)C1CC([NH3+])C1 ZINC000424181529 387897684 /nfs/dbraw/zinc/89/76/84/387897684.db2.gz XXCJSSCMMPVEOL-UDNWOFFPSA-N 2 0 224.308 -0.044 20 30 BBEDRP C#CC[N@H+](C)CCCNc1cc[nH+]cc1C(N)=O ZINC000491068939 488029478 /nfs/dbraw/zinc/02/94/78/488029478.db2.gz SGVGLWWWCXZDMN-UHFFFAOYSA-N 2 0 246.314 -0.031 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000491381386 388290330 /nfs/dbraw/zinc/29/03/30/388290330.db2.gz DNXDQNPJUYHERO-GHMZBOCLSA-N 2 0 240.351 -0.024 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000491381387 388290356 /nfs/dbraw/zinc/29/03/56/388290356.db2.gz DNXDQNPJUYHERO-MNOVXSKESA-N 2 0 240.351 -0.024 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000491381388 388290561 /nfs/dbraw/zinc/29/05/61/388290561.db2.gz DNXDQNPJUYHERO-QWRGUYRKSA-N 2 0 240.351 -0.024 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000491381389 388290148 /nfs/dbraw/zinc/29/01/48/388290148.db2.gz DNXDQNPJUYHERO-WDEREUQCSA-N 2 0 240.351 -0.024 20 30 BBEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH2+]CC1 ZINC000491381518 388290551 /nfs/dbraw/zinc/29/05/51/388290551.db2.gz FUSYXDPABYHJJC-UHFFFAOYSA-N 2 0 238.335 -0.444 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)NCC[C@H](C)[NH3+] ZINC000491385408 388290965 /nfs/dbraw/zinc/29/09/65/388290965.db2.gz RLXJXAXYJDXGMF-NSHDSACASA-N 2 0 240.351 -0.022 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH3+] ZINC000491386775 388290783 /nfs/dbraw/zinc/29/07/83/388290783.db2.gz WDKJMUQKXZEPOJ-SNVBAGLBSA-N 2 0 226.324 -0.412 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)NCC[NH2+]C ZINC000491452922 384890530 /nfs/dbraw/zinc/89/05/30/384890530.db2.gz OIRBNANQSWQMGK-UHFFFAOYSA-N 2 0 226.324 -0.540 20 30 BBEDRP C#CC[N@H+](C)CCCNC(=O)NCCCC[NH3+] ZINC000491473998 388297252 /nfs/dbraw/zinc/29/72/52/388297252.db2.gz JERXRBMBQVXXOK-UHFFFAOYSA-N 2 0 240.351 -0.020 20 30 BBEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000491504448 388299465 /nfs/dbraw/zinc/29/94/65/388299465.db2.gz HLMFMVKIJADZCQ-NSHDSACASA-N 2 0 238.335 -0.397 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)CC[NH3+] ZINC000491505272 526819017 /nfs/dbraw/zinc/81/90/17/526819017.db2.gz LEOPPUWRGZHBMC-LLVKDONJSA-N 2 0 240.351 -0.022 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000491505273 526816726 /nfs/dbraw/zinc/81/67/26/526816726.db2.gz LEOPPUWRGZHBMC-NSHDSACASA-N 2 0 240.351 -0.022 20 30 BBEDRP C#CCNC(=O)CC[NH2+]C[C@H]1CCCN1C ZINC000491565825 388303997 /nfs/dbraw/zinc/30/39/97/388303997.db2.gz CNIKTGPFLSMHAG-LLVKDONJSA-N 2 0 223.320 -0.190 20 30 BBEDRP C#CCNC(=O)CC[NH2+]C[C@@H]1CCCN1C ZINC000491565826 388303826 /nfs/dbraw/zinc/30/38/26/388303826.db2.gz CNIKTGPFLSMHAG-NSHDSACASA-N 2 0 223.320 -0.190 20 30 BBEDRP C#CC[N@H+](C)CCCNC(=O)NCC(C)(C)[NH3+] ZINC000491665280 388309466 /nfs/dbraw/zinc/30/94/66/388309466.db2.gz KKKJSTWUGXNJQB-UHFFFAOYSA-N 2 0 240.351 -0.022 20 30 BBEDRP C#CC[N@H+](C)CCCNC(=O)NCCC[NH3+] ZINC000491670169 526816133 /nfs/dbraw/zinc/81/61/33/526816133.db2.gz QMBGPWSQCVPHNP-UHFFFAOYSA-N 2 0 226.324 -0.411 20 30 BBEDRP C#CCNC(=O)CC[NH2+][C@@H]1CCn2ccnc2C1 ZINC000491691171 388311285 /nfs/dbraw/zinc/31/12/85/388311285.db2.gz FJOVQTADWFZFTG-LLVKDONJSA-N 2 0 246.314 -0.073 20 30 BBEDRP C#CCNC(=O)CC[NH2+][C@H]1CCn2ccnc2C1 ZINC000491691173 388311101 /nfs/dbraw/zinc/31/11/01/388311101.db2.gz FJOVQTADWFZFTG-NSHDSACASA-N 2 0 246.314 -0.073 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]([NH3+])CC ZINC000491695311 388311930 /nfs/dbraw/zinc/31/19/30/388311930.db2.gz OBDXQHKJLGMRLB-LLVKDONJSA-N 2 0 240.351 -0.022 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]([NH3+])CC ZINC000491695313 388311631 /nfs/dbraw/zinc/31/16/31/388311631.db2.gz OBDXQHKJLGMRLB-NSHDSACASA-N 2 0 240.351 -0.022 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)CCC[NH3+] ZINC000491705507 388313225 /nfs/dbraw/zinc/31/32/25/388313225.db2.gz KLKYIRAKELSKEV-UHFFFAOYSA-N 2 0 240.351 -0.068 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])NCCOC ZINC000491711579 388314054 /nfs/dbraw/zinc/31/40/54/388314054.db2.gz WECBMXYJNFXUSV-UHFFFAOYSA-N 2 0 226.324 -0.298 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)NCC[NH2+]CC ZINC000491725088 388315106 /nfs/dbraw/zinc/31/51/06/388315106.db2.gz CUWUCPMMIANIDN-UHFFFAOYSA-N 2 0 240.351 -0.150 20 30 BBEDRP C#CCN(C)CCC[NH2+]CCC(=O)N(C)OC ZINC000491732529 388315851 /nfs/dbraw/zinc/31/58/51/388315851.db2.gz BUESXGJXJVLBDY-UHFFFAOYSA-N 2 0 241.335 -0.059 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH2+]C ZINC000491736774 388316391 /nfs/dbraw/zinc/31/63/91/388316391.db2.gz QFAVRXBHHVOTDB-UHFFFAOYSA-N 2 0 240.351 -0.150 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000491746209 388317156 /nfs/dbraw/zinc/31/71/56/388317156.db2.gz YHLIQMYFLWISMD-LLVKDONJSA-N 2 0 240.351 -0.070 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)CC[NH2+]C ZINC000491752095 388318022 /nfs/dbraw/zinc/31/80/22/388318022.db2.gz XWFYZZRFTRVKAV-UHFFFAOYSA-N 2 0 240.351 -0.198 20 30 BBEDRP C#CC[N@H+](C)CCCNC(=[NH2+])N1CCOCC1 ZINC000491766861 388318892 /nfs/dbraw/zinc/31/88/92/388318892.db2.gz FEMUKOKVZDMKJC-UHFFFAOYSA-N 2 0 238.335 -0.202 20 30 BBEDRP C#CCNC(=O)CC[NH2+]CCOCC[NH+](C)C ZINC000491781059 384679292 /nfs/dbraw/zinc/67/92/92/384679292.db2.gz FROPVFSAEBINII-UHFFFAOYSA-N 2 0 241.335 -0.706 20 30 BBEDRP C=CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565239860 388931085 /nfs/dbraw/zinc/93/10/85/388931085.db2.gz NHVFNSGBNKBCJW-NXEZZACHSA-N 2 0 209.293 -0.194 20 30 BBEDRP C=CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565239861 388930643 /nfs/dbraw/zinc/93/06/43/388930643.db2.gz NHVFNSGBNKBCJW-UWVGGRQHSA-N 2 0 209.293 -0.194 20 30 BBEDRP C=CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565239862 388925738 /nfs/dbraw/zinc/92/57/38/388925738.db2.gz NHVFNSGBNKBCJW-VHSXEESVSA-N 2 0 209.293 -0.194 20 30 BBEDRP C=CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565239863 388925230 /nfs/dbraw/zinc/92/52/30/388925230.db2.gz NHVFNSGBNKBCJW-ZJUUUORDSA-N 2 0 209.293 -0.194 20 30 BBEDRP C=CCN1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000571762725 387163628 /nfs/dbraw/zinc/16/36/28/387163628.db2.gz IIPOEHIEPXPKHX-GRYCIOLGSA-N 2 0 235.331 -0.076 20 30 BBEDRP C=CCN1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000571762726 387163085 /nfs/dbraw/zinc/16/30/85/387163085.db2.gz IIPOEHIEPXPKHX-TUAOUCFPSA-N 2 0 235.331 -0.076 20 30 BBEDRP C=CCOCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000578356094 366537302 /nfs/dbraw/zinc/53/73/02/366537302.db2.gz XDDWLRSYEVLIPA-JTQLQIEISA-N 2 0 227.308 -0.710 20 30 BBEDRP N#C[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]C1 ZINC000592544393 347799182 /nfs/dbraw/zinc/79/91/82/347799182.db2.gz CYCYSCZEAVNKIO-DMDPSCGWSA-N 2 0 248.330 -0.300 20 30 BBEDRP N#C[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC[NH2+]C1 ZINC000592544395 347799318 /nfs/dbraw/zinc/79/93/18/347799318.db2.gz CYCYSCZEAVNKIO-GMXVVIOVSA-N 2 0 248.330 -0.300 20 30 BBEDRP N#C[C@]1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC[NH2+]C1 ZINC000592544396 347799505 /nfs/dbraw/zinc/79/95/05/347799505.db2.gz CYCYSCZEAVNKIO-NQBHXWOUSA-N 2 0 248.330 -0.300 20 30 BBEDRP N#C[C@]1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC[NH2+]C1 ZINC000592544398 347799152 /nfs/dbraw/zinc/79/91/52/347799152.db2.gz CYCYSCZEAVNKIO-NTZNESFSSA-N 2 0 248.330 -0.300 20 30 BBEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000594425499 348051319 /nfs/dbraw/zinc/05/13/19/348051319.db2.gz KOJPJWYUBYIBOQ-JTQLQIEISA-N 2 0 224.308 -0.171 20 30 BBEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000594425510 348051378 /nfs/dbraw/zinc/05/13/78/348051378.db2.gz KOJPJWYUBYIBOQ-SNVBAGLBSA-N 2 0 224.308 -0.171 20 30 BBEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000594444290 348055464 /nfs/dbraw/zinc/05/54/64/348055464.db2.gz NWYHLWADBZHRJS-YTWAJWBKSA-N 2 0 236.319 -0.268 20 30 BBEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000594444291 348055681 /nfs/dbraw/zinc/05/56/81/348055681.db2.gz NWYHLWADBZHRJS-ZRUFSTJUSA-N 2 0 236.319 -0.268 20 30 BBEDRP CN(Cc1ccc(C#N)o1)C[C@@H](O)C[NH3+] ZINC000600767386 369560706 /nfs/dbraw/zinc/56/07/06/369560706.db2.gz ARANAWKBUWIROK-QMMMGPOBSA-N 2 0 209.249 -0.097 20 30 BBEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602592460 349614805 /nfs/dbraw/zinc/61/48/05/349614805.db2.gz RFYGBYOXKTVFNV-DCAQKATOSA-N 2 0 236.319 -0.030 20 30 BBEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602592462 349614763 /nfs/dbraw/zinc/61/47/63/349614763.db2.gz RFYGBYOXKTVFNV-GARJFASQSA-N 2 0 236.319 -0.030 20 30 BBEDRP C=C[C@@H](O)C(=O)NCCN(C)CCC[NH+](C)C ZINC000617763364 356325750 /nfs/dbraw/zinc/32/57/50/356325750.db2.gz OQRSEMXXGGCBSG-LLVKDONJSA-N 2 0 243.351 -0.467 20 30 BBEDRP C=C[C@H](O)C(=O)NCCN(C)CCC[NH+](C)C ZINC000617763365 356325772 /nfs/dbraw/zinc/32/57/72/356325772.db2.gz OQRSEMXXGGCBSG-NSHDSACASA-N 2 0 243.351 -0.467 20 30 BBEDRP C=CC[NH+]1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000623951679 360442017 /nfs/dbraw/zinc/44/20/17/360442017.db2.gz WDTVPAMDYPPJJE-UHFFFAOYSA-N 2 0 249.322 -0.819 20 30 BBEDRP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH2+]C ZINC000629569651 361461709 /nfs/dbraw/zinc/46/17/09/361461709.db2.gz QQPXWBTXBMCMME-LLVKDONJSA-N 2 0 243.351 -0.155 20 30 BBEDRP C=CCNC(=O)[C@H](C)[N@@H+](C)CCOCC[NH2+]C ZINC000629569653 361461407 /nfs/dbraw/zinc/46/14/07/361461407.db2.gz QQPXWBTXBMCMME-NSHDSACASA-N 2 0 243.351 -0.155 20 30 BBEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000629580203 361466551 /nfs/dbraw/zinc/46/65/51/361466551.db2.gz UUXMMDQFKCSTPY-JTQLQIEISA-N 2 0 229.324 -0.416 20 30 BBEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000629580204 361466392 /nfs/dbraw/zinc/46/63/92/361466392.db2.gz UUXMMDQFKCSTPY-SNVBAGLBSA-N 2 0 229.324 -0.416 20 30 BBEDRP CC#CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644618186 385006345 /nfs/dbraw/zinc/00/63/45/385006345.db2.gz VLMJPZKRCUDEMO-CYBMUJFWSA-N 2 0 239.363 -0.402 20 30 BBEDRP CC#CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644618187 385007728 /nfs/dbraw/zinc/00/77/28/385007728.db2.gz VLMJPZKRCUDEMO-ZDUSSCGKSA-N 2 0 239.363 -0.402 20 30 BBEDRP C=CC[NH+]1CCC(NC(=O)COCC[NH3+])CC1 ZINC000645944946 388256594 /nfs/dbraw/zinc/25/65/94/388256594.db2.gz NNGZBZJYQLPPBW-UHFFFAOYSA-N 2 0 241.335 -0.272 20 30 BBEDRP C=CCCOCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000646833792 388564350 /nfs/dbraw/zinc/56/43/50/388564350.db2.gz ZAUBXTGUGIARRN-LLVKDONJSA-N 2 0 241.335 -0.320 20 30 BBEDRP C=CCCOCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000646833793 388564707 /nfs/dbraw/zinc/56/47/07/388564707.db2.gz ZAUBXTGUGIARRN-NSHDSACASA-N 2 0 241.335 -0.320 20 30 BBEDRP C=CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000656702679 411337994 /nfs/dbraw/zinc/33/79/94/411337994.db2.gz GTKIICTXZWOBQO-GFCCVEGCSA-N 2 0 227.352 -0.240 20 30 BBEDRP C=CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000656702695 411338434 /nfs/dbraw/zinc/33/84/34/411338434.db2.gz GTKIICTXZWOBQO-LBPRGKRZSA-N 2 0 227.352 -0.240 20 30 BBEDRP C=C[C@H](CO)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000662168349 412016571 /nfs/dbraw/zinc/01/65/71/412016571.db2.gz CDHYSIVGQQAQDG-LLVKDONJSA-N 2 0 241.335 -0.713 20 30 BBEDRP C=C[C@H](CO)[NH2+]C/C=C\C[NH2+][C@H](C=C)CO ZINC000662168455 411371805 /nfs/dbraw/zinc/37/18/05/411371805.db2.gz HDWODQTWWXXGIP-GKKDLHFNSA-N 2 0 226.320 -0.184 20 30 BBEDRP C=C[C@H](CO)[NH2+]C/C=C/C[NH2+][C@H](C=C)CO ZINC000662168456 411372510 /nfs/dbraw/zinc/37/25/10/411372510.db2.gz HDWODQTWWXXGIP-IEVRTODYSA-N 2 0 226.320 -0.184 20 30 BBEDRP C=C[C@H](CO)[NH2+]CCC[NH2+][C@H](C=C)CO ZINC000662168796 411372416 /nfs/dbraw/zinc/37/24/16/411372416.db2.gz VGDQESZKSGCVKB-GHMZBOCLSA-N 2 0 214.309 -0.351 20 30 BBEDRP C=CC[NH+]1CCC(NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662720835 412281672 /nfs/dbraw/zinc/28/16/72/412281672.db2.gz FBUMJIPJDXAYMD-UHFFFAOYSA-N 2 0 239.319 -0.913 20 30 BBEDRP C=CCN1CC[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000685000446 487487924 /nfs/dbraw/zinc/48/79/24/487487924.db2.gz IIPOEHIEPXPKHX-SRVKXCTJSA-N 2 0 235.331 -0.076 20 30 BBEDRP C=CCN1CC[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000685000447 487487999 /nfs/dbraw/zinc/48/79/99/487487999.db2.gz IIPOEHIEPXPKHX-UTUOFQBUSA-N 2 0 235.331 -0.076 20 30 BBEDRP CCNC(NC[C@]1(O)CC[N@H+](C)C1)=[NH+]CC ZINC000702591465 712056546 /nfs/dbraw/zinc/05/65/46/712056546.db2.gz OCTLWSBDAJSTPD-LLVKDONJSA-N 2 0 228.340 -0.372 20 30 BBEDRP CCNC(NC[C@@]1(O)CC[N@H+](C)C1)=[NH+]CC ZINC000702591466 712056598 /nfs/dbraw/zinc/05/65/98/712056598.db2.gz OCTLWSBDAJSTPD-NSHDSACASA-N 2 0 228.340 -0.372 20 30 BBEDRP C#CC1(O)CCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000708142867 712183118 /nfs/dbraw/zinc/18/31/18/712183118.db2.gz PPRGDMACWRZFIB-GFCCVEGCSA-N 2 0 240.347 -0.241 20 30 BBEDRP C#CC1(O)CCN(C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000708142869 712183015 /nfs/dbraw/zinc/18/30/15/712183015.db2.gz PPRGDMACWRZFIB-LBPRGKRZSA-N 2 0 240.347 -0.241 20 30 BBEDRP C#CCC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000717894956 712732189 /nfs/dbraw/zinc/73/21/89/712732189.db2.gz GNQRYGBQFNFTQY-CHWSQXEVSA-N 2 0 240.347 -0.193 20 30 BBEDRP C#CCC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000717894958 712731930 /nfs/dbraw/zinc/73/19/30/712731930.db2.gz GNQRYGBQFNFTQY-OLZOCXBDSA-N 2 0 240.347 -0.193 20 30 BBEDRP C#CCC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000717894961 712731850 /nfs/dbraw/zinc/73/18/50/712731850.db2.gz GNQRYGBQFNFTQY-QWHCGFSZSA-N 2 0 240.347 -0.193 20 30 BBEDRP C#CCC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000717894964 712731857 /nfs/dbraw/zinc/73/18/57/712731857.db2.gz GNQRYGBQFNFTQY-STQMWFEESA-N 2 0 240.347 -0.193 20 30 BBEDRP C=CCNC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723691124 711534267 /nfs/dbraw/zinc/53/42/67/711534267.db2.gz IBPMIOYCNIECNK-JTQLQIEISA-N 2 0 211.309 -0.041 20 30 BBEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723691125 711533707 /nfs/dbraw/zinc/53/37/07/711533707.db2.gz IBPMIOYCNIECNK-SNVBAGLBSA-N 2 0 211.309 -0.041 20 30 BBEDRP CNC(NCCC[NH+]1CCC(O)CC1)=[NH+]C ZINC000727241478 583624648 /nfs/dbraw/zinc/62/46/48/583624648.db2.gz QWIXZBFZDMYHPX-UHFFFAOYSA-N 2 0 228.340 -0.372 20 30 BBEDRP CNC(NCCCC[NH+]1CCN(C)CC1)=[NH+]C ZINC000727241525 583624662 /nfs/dbraw/zinc/62/46/62/583624662.db2.gz ZDYAPLCKSDYFOM-UHFFFAOYSA-N 2 0 241.383 -0.191 20 30 BBEDRP C#CCN1CCC[C@H]1C(=O)N1CCN(C)CC1 ZINC000730094709 584123109 /nfs/dbraw/zinc/12/31/09/584123109.db2.gz QDCTUBQSGPMWCY-LBPRGKRZSA-N 2 0 235.331 -0.142 20 30 BBEDRP CNC(NCC(C)(C)N1CC[NH+](C)CC1)=[NH+]C ZINC000750542084 585217140 /nfs/dbraw/zinc/21/71/40/585217140.db2.gz VFTBUZPUHMUJEO-UHFFFAOYSA-N 2 0 241.383 -0.193 20 30 BBEDRP C#CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000754022081 585275589 /nfs/dbraw/zinc/27/55/89/585275589.db2.gz OXAHSFPMRDKECV-UHFFFAOYSA-N 2 0 211.309 -0.429 20 30 BBEDRP C#CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000754024916 585275359 /nfs/dbraw/zinc/27/53/59/585275359.db2.gz QDWBPJWCLKILOO-LLVKDONJSA-N 2 0 235.331 -0.096 20 30 BBEDRP C#CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000754025351 585275699 /nfs/dbraw/zinc/27/56/99/585275699.db2.gz QDWBPJWCLKILOO-NSHDSACASA-N 2 0 235.331 -0.096 20 30 BBEDRP COC(=O)CC[NH+]1CCC(N=NC(N)=[NH2+])CC1 ZINC000788710367 585929421 /nfs/dbraw/zinc/92/94/21/585929421.db2.gz XFFJLJDNKTWKIJ-UHFFFAOYSA-N 2 0 241.295 -0.516 20 30 BBEDRP CON=CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000809695040 586513547 /nfs/dbraw/zinc/51/35/47/586513547.db2.gz ZCDNMKNTBFUTBF-UHFFFAOYSA-N 2 0 244.339 -0.430 20 30 BBEDRP CC(C)(O)C[NH+]1CCC(N=NC(N)=[NH2+])CC1 ZINC000814217447 586618169 /nfs/dbraw/zinc/61/81/69/586618169.db2.gz HIJFLXYHSNARBV-UHFFFAOYSA-N 2 0 227.312 -0.308 20 30 BBEDRP C#CCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819115409 586931178 /nfs/dbraw/zinc/93/11/78/586931178.db2.gz AQEXUNHOKXZTGI-CYBMUJFWSA-N 2 0 239.363 -0.402 20 30 BBEDRP C#CCCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000819115410 586931471 /nfs/dbraw/zinc/93/14/71/586931471.db2.gz AQEXUNHOKXZTGI-ZDUSSCGKSA-N 2 0 239.363 -0.402 20 30 BBEDRP C[C@@H]1CNC(NN=C2CC[NH+](CCO)CC2)=[NH+]1 ZINC000819811982 586997210 /nfs/dbraw/zinc/99/72/10/586997210.db2.gz GTLFKIOKEMRBEA-SECBINFHSA-N 2 0 239.323 -0.632 20 30 BBEDRP C[C@H]1CNC(NN=C2CC[NH+](CCO)CC2)=[NH+]1 ZINC000819811983 586997369 /nfs/dbraw/zinc/99/73/69/586997369.db2.gz GTLFKIOKEMRBEA-VIFPVBQESA-N 2 0 239.323 -0.632 20 30 BBEDRP CC(C)[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[NH+](C)C ZINC000834479942 587756030 /nfs/dbraw/zinc/75/60/30/587756030.db2.gz JRBREBWBALVDLK-AXFHLTTASA-N 2 0 238.335 -0.200 20 30 BBEDRP CC(C)[C@@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)[NH+](C)C ZINC000834479943 587756252 /nfs/dbraw/zinc/75/62/52/587756252.db2.gz JRBREBWBALVDLK-DCAQKATOSA-N 2 0 238.335 -0.200 20 30 BBEDRP CC(C)[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[NH+](C)C ZINC000834479944 587756079 /nfs/dbraw/zinc/75/60/79/587756079.db2.gz JRBREBWBALVDLK-MXWKQRLJSA-N 2 0 238.335 -0.200 20 30 BBEDRP CC(C)[C@@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)[NH+](C)C ZINC000834479945 587756084 /nfs/dbraw/zinc/75/60/84/587756084.db2.gz JRBREBWBALVDLK-VWYCJHECSA-N 2 0 238.335 -0.200 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000834483911 712598461 /nfs/dbraw/zinc/59/84/61/712598461.db2.gz BCPHKDFNICBHOH-FYLLDIAZSA-N 2 0 234.303 -0.786 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000834483912 712598471 /nfs/dbraw/zinc/59/84/71/712598471.db2.gz BCPHKDFNICBHOH-MWGHHZFTSA-N 2 0 234.303 -0.786 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000834483913 712598417 /nfs/dbraw/zinc/59/84/17/712598417.db2.gz BCPHKDFNICBHOH-SVDPJWKOSA-N 2 0 234.303 -0.786 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000834483914 712598554 /nfs/dbraw/zinc/59/85/54/712598554.db2.gz BCPHKDFNICBHOH-WDCWCFNPSA-N 2 0 234.303 -0.786 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000834484007 712598430 /nfs/dbraw/zinc/59/84/30/712598430.db2.gz CIKOIUBDBGVHPL-NXEZZACHSA-N 2 0 222.292 -0.786 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000834484008 645143095 /nfs/dbraw/zinc/14/30/95/645143095.db2.gz CIKOIUBDBGVHPL-UWVGGRQHSA-N 2 0 222.292 -0.786 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000834484009 645144026 /nfs/dbraw/zinc/14/40/26/645144026.db2.gz CIKOIUBDBGVHPL-VHSXEESVSA-N 2 0 222.292 -0.786 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000834484010 645143966 /nfs/dbraw/zinc/14/39/66/645143966.db2.gz CIKOIUBDBGVHPL-ZJUUUORDSA-N 2 0 222.292 -0.786 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000834484032 645143676 /nfs/dbraw/zinc/14/36/76/645143676.db2.gz COFUSKXSTNONBC-NXEZZACHSA-N 2 0 236.319 -0.267 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000834484033 645142570 /nfs/dbraw/zinc/14/25/70/645142570.db2.gz COFUSKXSTNONBC-UWVGGRQHSA-N 2 0 236.319 -0.267 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000834484034 645142909 /nfs/dbraw/zinc/14/29/09/645142909.db2.gz COFUSKXSTNONBC-VHSXEESVSA-N 2 0 236.319 -0.267 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000834484035 645143493 /nfs/dbraw/zinc/14/34/93/645143493.db2.gz COFUSKXSTNONBC-ZJUUUORDSA-N 2 0 236.319 -0.267 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000834484125 645143919 /nfs/dbraw/zinc/14/39/19/645143919.db2.gz FABCIDJQPRNSCD-NEPJUHHUSA-N 2 0 244.298 -0.013 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000834484126 645143595 /nfs/dbraw/zinc/14/35/95/645143595.db2.gz FABCIDJQPRNSCD-NWDGAFQWSA-N 2 0 244.298 -0.013 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000834484127 645142689 /nfs/dbraw/zinc/14/26/89/645142689.db2.gz FABCIDJQPRNSCD-RYUDHWBXSA-N 2 0 244.298 -0.013 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000834484128 645143851 /nfs/dbraw/zinc/14/38/51/645143851.db2.gz FABCIDJQPRNSCD-VXGBXAGGSA-N 2 0 244.298 -0.013 20 30 BBEDRP C[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC[NH2+]C1 ZINC000834484502 645143512 /nfs/dbraw/zinc/14/35/12/645143512.db2.gz JVFROIYKYWRKJD-KKZNHRDASA-N 2 0 222.292 -0.786 20 30 BBEDRP C[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC[NH2+]C1 ZINC000834484503 645142894 /nfs/dbraw/zinc/14/28/94/645142894.db2.gz JVFROIYKYWRKJD-NGZCFLSTSA-N 2 0 222.292 -0.786 20 30 BBEDRP C[C@]1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC[NH2+]C1 ZINC000834484504 645142505 /nfs/dbraw/zinc/14/25/05/645142505.db2.gz JVFROIYKYWRKJD-QXEWZRGKSA-N 2 0 222.292 -0.786 20 30 BBEDRP C[C@]1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC[NH2+]C1 ZINC000834484505 645143701 /nfs/dbraw/zinc/14/37/01/645143701.db2.gz JVFROIYKYWRKJD-YWVKMMECSA-N 2 0 222.292 -0.786 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000834484534 645144033 /nfs/dbraw/zinc/14/40/33/645144033.db2.gz KBWUBVNVEIKNET-GHMZBOCLSA-N 2 0 236.319 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000834484535 645143083 /nfs/dbraw/zinc/14/30/83/645143083.db2.gz KBWUBVNVEIKNET-MNOVXSKESA-N 2 0 236.319 -0.396 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000834484536 645142611 /nfs/dbraw/zinc/14/26/11/645142611.db2.gz KBWUBVNVEIKNET-QWRGUYRKSA-N 2 0 236.319 -0.396 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000834484537 587756338 /nfs/dbraw/zinc/75/63/38/587756338.db2.gz KBWUBVNVEIKNET-WDEREUQCSA-N 2 0 236.319 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000834484547 645143437 /nfs/dbraw/zinc/14/34/37/645143437.db2.gz KEOWPWZNUFIWCD-BBBLOLIVSA-N 2 0 222.292 -0.786 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000834484549 645144047 /nfs/dbraw/zinc/14/40/47/645144047.db2.gz KEOWPWZNUFIWCD-KXUCPTDWSA-N 2 0 222.292 -0.786 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000834484550 645143973 /nfs/dbraw/zinc/14/39/73/645143973.db2.gz KEOWPWZNUFIWCD-OPRDCNLKSA-N 2 0 222.292 -0.786 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000834484551 645143179 /nfs/dbraw/zinc/14/31/79/645143179.db2.gz KEOWPWZNUFIWCD-UTLUCORTSA-N 2 0 222.292 -0.786 20 30 BBEDRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834484596 645143667 /nfs/dbraw/zinc/14/36/67/645143667.db2.gz KSISUUUFOFBNAA-NXEZZACHSA-N 2 0 224.308 -0.444 20 30 BBEDRP CCC[N@H+](C)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834484597 645142601 /nfs/dbraw/zinc/14/26/01/645142601.db2.gz KSISUUUFOFBNAA-UWVGGRQHSA-N 2 0 224.308 -0.444 20 30 BBEDRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834484598 645143800 /nfs/dbraw/zinc/14/38/00/645143800.db2.gz KSISUUUFOFBNAA-VHSXEESVSA-N 2 0 224.308 -0.444 20 30 BBEDRP CCC[N@H+](C)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834484599 645143373 /nfs/dbraw/zinc/14/33/73/645143373.db2.gz KSISUUUFOFBNAA-ZJUUUORDSA-N 2 0 224.308 -0.444 20 30 BBEDRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834484612 645143568 /nfs/dbraw/zinc/14/35/68/645143568.db2.gz KXXKLCZIPQILPC-DJLDLDEBSA-N 2 0 222.292 -0.788 20 30 BBEDRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834484613 645142805 /nfs/dbraw/zinc/14/28/05/645142805.db2.gz KXXKLCZIPQILPC-HRDYMLBCSA-N 2 0 222.292 -0.788 20 30 BBEDRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834484614 645142707 /nfs/dbraw/zinc/14/27/07/645142707.db2.gz KXXKLCZIPQILPC-IWSPIJDZSA-N 2 0 222.292 -0.788 20 30 BBEDRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834484615 645143631 /nfs/dbraw/zinc/14/36/31/645143631.db2.gz KXXKLCZIPQILPC-XHNCKOQMSA-N 2 0 222.292 -0.788 20 30 BBEDRP CC(C)[NH2+]CCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834484778 587756843 /nfs/dbraw/zinc/75/68/43/587756843.db2.gz MXGQRBXFENXMKL-NXEZZACHSA-N 2 0 224.308 -0.398 20 30 BBEDRP CC(C)[NH2+]CCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834484779 587756813 /nfs/dbraw/zinc/75/68/13/587756813.db2.gz MXGQRBXFENXMKL-UWVGGRQHSA-N 2 0 224.308 -0.398 20 30 BBEDRP CC(C)[NH2+]CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834484780 587756604 /nfs/dbraw/zinc/75/66/04/587756604.db2.gz MXGQRBXFENXMKL-VHSXEESVSA-N 2 0 224.308 -0.398 20 30 BBEDRP CC(C)[NH2+]CCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834484781 587756514 /nfs/dbraw/zinc/75/65/14/587756514.db2.gz MXGQRBXFENXMKL-ZJUUUORDSA-N 2 0 224.308 -0.398 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000834484806 587756731 /nfs/dbraw/zinc/75/67/31/587756731.db2.gz NKGPVFRMQDAWMF-GRYCIOLGSA-N 2 0 244.298 -0.086 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000834484807 587756666 /nfs/dbraw/zinc/75/66/66/587756666.db2.gz NKGPVFRMQDAWMF-IJLUTSLNSA-N 2 0 244.298 -0.086 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000834484808 587756494 /nfs/dbraw/zinc/75/64/94/587756494.db2.gz NKGPVFRMQDAWMF-QJPTWQEYSA-N 2 0 244.298 -0.086 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000834484809 587756799 /nfs/dbraw/zinc/75/67/99/587756799.db2.gz NKGPVFRMQDAWMF-SDDRHHMPSA-N 2 0 244.298 -0.086 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000834484885 587756491 /nfs/dbraw/zinc/75/64/91/587756491.db2.gz ORKUEJFJZUKYFB-BBBLOLIVSA-N 2 0 222.292 -0.658 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000834484886 587756662 /nfs/dbraw/zinc/75/66/62/587756662.db2.gz ORKUEJFJZUKYFB-KXUCPTDWSA-N 2 0 222.292 -0.658 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000834484887 587756720 /nfs/dbraw/zinc/75/67/20/587756720.db2.gz ORKUEJFJZUKYFB-OPRDCNLKSA-N 2 0 222.292 -0.658 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000834484888 587756629 /nfs/dbraw/zinc/75/66/29/587756629.db2.gz ORKUEJFJZUKYFB-UTLUCORTSA-N 2 0 222.292 -0.658 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000834484975 587756764 /nfs/dbraw/zinc/75/67/64/587756764.db2.gz QIHFEYKMPBHUGG-DCAQKATOSA-N 2 0 236.319 -0.254 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000834484976 587756702 /nfs/dbraw/zinc/75/67/02/587756702.db2.gz QIHFEYKMPBHUGG-GARJFASQSA-N 2 0 236.319 -0.254 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000834484977 587756518 /nfs/dbraw/zinc/75/65/18/587756518.db2.gz QIHFEYKMPBHUGG-OUAUKWLOSA-N 2 0 236.319 -0.254 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000834484978 587756773 /nfs/dbraw/zinc/75/67/73/587756773.db2.gz QIHFEYKMPBHUGG-VWYCJHECSA-N 2 0 236.319 -0.254 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000834485124 587756497 /nfs/dbraw/zinc/75/64/97/587756497.db2.gz RYMUQHGCPUUQOA-BBBLOLIVSA-N 2 0 222.292 -0.644 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000834485125 587756618 /nfs/dbraw/zinc/75/66/18/587756618.db2.gz RYMUQHGCPUUQOA-KXUCPTDWSA-N 2 0 222.292 -0.644 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000834485126 587756529 /nfs/dbraw/zinc/75/65/29/587756529.db2.gz RYMUQHGCPUUQOA-OPRDCNLKSA-N 2 0 222.292 -0.644 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000834485127 587756559 /nfs/dbraw/zinc/75/65/59/587756559.db2.gz RYMUQHGCPUUQOA-UTLUCORTSA-N 2 0 222.292 -0.644 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000834485194 587756569 /nfs/dbraw/zinc/75/65/69/587756569.db2.gz SVFMXYOSXCYNKC-GMTAPVOTSA-N 2 0 248.330 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000834485195 587756847 /nfs/dbraw/zinc/75/68/47/587756847.db2.gz SVFMXYOSXCYNKC-MXWKQRLJSA-N 2 0 248.330 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000834485196 587756817 /nfs/dbraw/zinc/75/68/17/587756817.db2.gz SVFMXYOSXCYNKC-OUAUKWLOSA-N 2 0 248.330 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000834485197 587756766 /nfs/dbraw/zinc/75/67/66/587756766.db2.gz SVFMXYOSXCYNKC-VWYCJHECSA-N 2 0 248.330 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCCCC[NH3+] ZINC000834485206 587755638 /nfs/dbraw/zinc/75/56/38/587755638.db2.gz SWPXQHDPBPBLTR-NXEZZACHSA-N 2 0 224.308 -0.267 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCCCC[NH3+] ZINC000834485207 587755661 /nfs/dbraw/zinc/75/56/61/587755661.db2.gz SWPXQHDPBPBLTR-UWVGGRQHSA-N 2 0 224.308 -0.267 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCCCC[NH3+] ZINC000834485208 587755545 /nfs/dbraw/zinc/75/55/45/587755545.db2.gz SWPXQHDPBPBLTR-VHSXEESVSA-N 2 0 224.308 -0.267 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCCCC[NH3+] ZINC000834485209 587755633 /nfs/dbraw/zinc/75/56/33/587755633.db2.gz SWPXQHDPBPBLTR-ZJUUUORDSA-N 2 0 224.308 -0.267 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000834485214 587756790 /nfs/dbraw/zinc/75/67/90/587756790.db2.gz TUXALPFDYUTNBP-AXFHLTTASA-N 2 0 236.319 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000834485215 587756533 /nfs/dbraw/zinc/75/65/33/587756533.db2.gz TUXALPFDYUTNBP-GMTAPVOTSA-N 2 0 236.319 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000834485216 587756552 /nfs/dbraw/zinc/75/65/52/587756552.db2.gz TUXALPFDYUTNBP-HBNTYKKESA-N 2 0 236.319 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000834485217 587756783 /nfs/dbraw/zinc/75/67/83/587756783.db2.gz TUXALPFDYUTNBP-MXWKQRLJSA-N 2 0 236.319 -0.396 20 30 BBEDRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834485400 587756724 /nfs/dbraw/zinc/75/67/24/587756724.db2.gz WDSKBFLVMTVGIE-NRPADANISA-N 2 0 222.292 -0.645 20 30 BBEDRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834485401 587756829 /nfs/dbraw/zinc/75/68/29/587756829.db2.gz WDSKBFLVMTVGIE-OYNCUSHFSA-N 2 0 222.292 -0.645 20 30 BBEDRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834485402 587756851 /nfs/dbraw/zinc/75/68/51/587756851.db2.gz WDSKBFLVMTVGIE-QXFUBDJGSA-N 2 0 222.292 -0.645 20 30 BBEDRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834485403 587756832 /nfs/dbraw/zinc/75/68/32/587756832.db2.gz WDSKBFLVMTVGIE-XKSSXDPKSA-N 2 0 222.292 -0.645 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000834485420 587756827 /nfs/dbraw/zinc/75/68/27/587756827.db2.gz WPQGPHSCKMNJOS-NEPJUHHUSA-N 2 0 244.298 -0.013 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000834485421 587756709 /nfs/dbraw/zinc/75/67/09/587756709.db2.gz WPQGPHSCKMNJOS-NWDGAFQWSA-N 2 0 244.298 -0.013 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000834485422 587756704 /nfs/dbraw/zinc/75/67/04/587756704.db2.gz WPQGPHSCKMNJOS-RYUDHWBXSA-N 2 0 244.298 -0.013 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000834485423 587756581 /nfs/dbraw/zinc/75/65/81/587756581.db2.gz WPQGPHSCKMNJOS-VXGBXAGGSA-N 2 0 244.298 -0.013 20 30 BBEDRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834485545 587756620 /nfs/dbraw/zinc/75/66/20/587756620.db2.gz YHCNYALFGKILSH-AATLWQCWSA-N 2 0 222.292 -0.788 20 30 BBEDRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834485546 587756539 /nfs/dbraw/zinc/75/65/39/587756539.db2.gz YHCNYALFGKILSH-JXUBOQSCSA-N 2 0 222.292 -0.788 20 30 BBEDRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834485547 587756802 /nfs/dbraw/zinc/75/68/02/587756802.db2.gz YHCNYALFGKILSH-QCLAVDOMSA-N 2 0 222.292 -0.788 20 30 BBEDRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834485548 587756571 /nfs/dbraw/zinc/75/65/71/587756571.db2.gz YHCNYALFGKILSH-XKNYDFJKSA-N 2 0 222.292 -0.788 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000834485591 587756585 /nfs/dbraw/zinc/75/65/85/587756585.db2.gz YYEBQKHQFXHCCG-BDAKNGLRSA-N 2 0 222.292 -0.514 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000834485592 587756557 /nfs/dbraw/zinc/75/65/57/587756557.db2.gz YYEBQKHQFXHCCG-DTWKUNHWSA-N 2 0 222.292 -0.514 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000834485593 587756508 /nfs/dbraw/zinc/75/65/08/587756508.db2.gz YYEBQKHQFXHCCG-IUCAKERBSA-N 2 0 222.292 -0.514 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000834485594 587756565 /nfs/dbraw/zinc/75/65/65/587756565.db2.gz YYEBQKHQFXHCCG-RKDXNWHRSA-N 2 0 222.292 -0.514 20 30 BBEDRP CCC[NH2+][C@H](C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834485611 587756600 /nfs/dbraw/zinc/75/66/00/587756600.db2.gz ZJHANFUJPCUXAS-BBBLOLIVSA-N 2 0 224.308 -0.398 20 30 BBEDRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834485612 587756645 /nfs/dbraw/zinc/75/66/45/587756645.db2.gz ZJHANFUJPCUXAS-KXUCPTDWSA-N 2 0 224.308 -0.398 20 30 BBEDRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834485613 587756537 /nfs/dbraw/zinc/75/65/37/587756537.db2.gz ZJHANFUJPCUXAS-OPRDCNLKSA-N 2 0 224.308 -0.398 20 30 BBEDRP CCC[NH2+][C@H](C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834485614 587756546 /nfs/dbraw/zinc/75/65/46/587756546.db2.gz ZJHANFUJPCUXAS-UTLUCORTSA-N 2 0 224.308 -0.398 20 30 BBEDRP CC[NH+](CC)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834488577 584913696 /nfs/dbraw/zinc/91/36/96/584913696.db2.gz DQEYDSUBSQWIQD-NXEZZACHSA-N 2 0 224.308 -0.444 20 30 BBEDRP CC[NH+](CC)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834488578 584913659 /nfs/dbraw/zinc/91/36/59/584913659.db2.gz DQEYDSUBSQWIQD-UWVGGRQHSA-N 2 0 224.308 -0.444 20 30 BBEDRP CC[NH+](CC)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834488579 584913799 /nfs/dbraw/zinc/91/37/99/584913799.db2.gz DQEYDSUBSQWIQD-VHSXEESVSA-N 2 0 224.308 -0.444 20 30 BBEDRP CC[NH+](CC)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834488580 584913612 /nfs/dbraw/zinc/91/36/12/584913612.db2.gz DQEYDSUBSQWIQD-ZJUUUORDSA-N 2 0 224.308 -0.444 20 30 BBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834489577 587757095 /nfs/dbraw/zinc/75/70/95/587757095.db2.gz ODSJUDPSAUNUMX-GARJFASQSA-N 2 0 236.319 -0.302 20 30 BBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834489578 587757068 /nfs/dbraw/zinc/75/70/68/587757068.db2.gz ODSJUDPSAUNUMX-GMTAPVOTSA-N 2 0 236.319 -0.302 20 30 BBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834489580 587757127 /nfs/dbraw/zinc/75/71/27/587757127.db2.gz ODSJUDPSAUNUMX-HBNTYKKESA-N 2 0 236.319 -0.302 20 30 BBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834489581 587757236 /nfs/dbraw/zinc/75/72/36/587757236.db2.gz ODSJUDPSAUNUMX-OUAUKWLOSA-N 2 0 236.319 -0.302 20 30 BBEDRP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[C@@H](C)[NH3+] ZINC000834493833 587757089 /nfs/dbraw/zinc/75/70/89/587757089.db2.gz HVFFGIAWUJOSHL-DBIOUOCHSA-N 2 0 238.335 -0.166 20 30 BBEDRP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[C@H](C)[NH3+] ZINC000834493834 587757144 /nfs/dbraw/zinc/75/71/44/587757144.db2.gz HVFFGIAWUJOSHL-MMWGEVLESA-N 2 0 238.335 -0.166 20 30 BBEDRP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[C@@H](C)[NH3+] ZINC000834493835 587756989 /nfs/dbraw/zinc/75/69/89/587756989.db2.gz HVFFGIAWUJOSHL-YTWAJWBKSA-N 2 0 238.335 -0.166 20 30 BBEDRP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[C@H](C)[NH3+] ZINC000834493836 587757079 /nfs/dbraw/zinc/75/70/79/587757079.db2.gz HVFFGIAWUJOSHL-ZDCRXTMVSA-N 2 0 238.335 -0.166 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000834493837 587757032 /nfs/dbraw/zinc/75/70/32/587757032.db2.gz HXZCYUWGKBDTSS-BBBLOLIVSA-N 2 0 222.292 -0.658 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])C1CCC1 ZINC000834493838 587757148 /nfs/dbraw/zinc/75/71/48/587757148.db2.gz HXZCYUWGKBDTSS-KXUCPTDWSA-N 2 0 222.292 -0.658 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])C1CCC1 ZINC000834493839 587757027 /nfs/dbraw/zinc/75/70/27/587757027.db2.gz HXZCYUWGKBDTSS-OPRDCNLKSA-N 2 0 222.292 -0.658 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000834493840 584913768 /nfs/dbraw/zinc/91/37/68/584913768.db2.gz HXZCYUWGKBDTSS-UTLUCORTSA-N 2 0 222.292 -0.658 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000834493925 587757187 /nfs/dbraw/zinc/75/71/87/587757187.db2.gz IYCBLHCKZRFVEM-BDAKNGLRSA-N 2 0 222.292 -0.657 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000834493926 587757018 /nfs/dbraw/zinc/75/70/18/587757018.db2.gz IYCBLHCKZRFVEM-DTWKUNHWSA-N 2 0 222.292 -0.657 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000834493927 587755977 /nfs/dbraw/zinc/75/59/77/587755977.db2.gz IYCBLHCKZRFVEM-IUCAKERBSA-N 2 0 222.292 -0.657 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000834493928 587755979 /nfs/dbraw/zinc/75/59/79/587755979.db2.gz IYCBLHCKZRFVEM-RKDXNWHRSA-N 2 0 222.292 -0.657 20 30 BBEDRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834494243 587757452 /nfs/dbraw/zinc/75/74/52/587757452.db2.gz MDWUETVQZHDOJP-NAKRPEOUSA-N 2 0 236.319 -0.398 20 30 BBEDRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834494244 587757277 /nfs/dbraw/zinc/75/72/77/587757277.db2.gz MDWUETVQZHDOJP-RCWTZXSCSA-N 2 0 236.319 -0.398 20 30 BBEDRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834494245 587757335 /nfs/dbraw/zinc/75/73/35/587757335.db2.gz MDWUETVQZHDOJP-VPOLOUISSA-N 2 0 236.319 -0.398 20 30 BBEDRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834494246 587757665 /nfs/dbraw/zinc/75/76/65/587757665.db2.gz MDWUETVQZHDOJP-XWLWVQCSSA-N 2 0 236.319 -0.398 20 30 BBEDRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834494369 587757465 /nfs/dbraw/zinc/75/74/65/587757465.db2.gz MPJQMMJZFDKEMP-NXEZZACHSA-N 2 0 224.308 -0.446 20 30 BBEDRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834494371 587757427 /nfs/dbraw/zinc/75/74/27/587757427.db2.gz MPJQMMJZFDKEMP-UWVGGRQHSA-N 2 0 224.308 -0.446 20 30 BBEDRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834494373 587757485 /nfs/dbraw/zinc/75/74/85/587757485.db2.gz MPJQMMJZFDKEMP-VHSXEESVSA-N 2 0 224.308 -0.446 20 30 BBEDRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834494374 587757585 /nfs/dbraw/zinc/75/75/85/587757585.db2.gz MPJQMMJZFDKEMP-ZJUUUORDSA-N 2 0 224.308 -0.446 20 30 BBEDRP C[NH+]1CCC(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000834499503 587757307 /nfs/dbraw/zinc/75/73/07/587757307.db2.gz IWFZWJBLSMVARS-GHMZBOCLSA-N 2 0 236.319 -0.444 20 30 BBEDRP C[NH+]1CCC(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000834499504 587757603 /nfs/dbraw/zinc/75/76/03/587757603.db2.gz IWFZWJBLSMVARS-MNOVXSKESA-N 2 0 236.319 -0.444 20 30 BBEDRP C[NH+]1CCC(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000834499505 587757285 /nfs/dbraw/zinc/75/72/85/587757285.db2.gz IWFZWJBLSMVARS-QWRGUYRKSA-N 2 0 236.319 -0.444 20 30 BBEDRP C[NH+]1CCC(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000834499506 587757641 /nfs/dbraw/zinc/75/76/41/587757641.db2.gz IWFZWJBLSMVARS-WDEREUQCSA-N 2 0 236.319 -0.444 20 30 BBEDRP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC[N@@H+]1C ZINC000834504424 587757748 /nfs/dbraw/zinc/75/77/48/587757748.db2.gz AXTZVYYZIZEPHV-DBIOUOCHSA-N 2 0 236.319 -0.446 20 30 BBEDRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC[N@@H+]1C ZINC000834504426 587757823 /nfs/dbraw/zinc/75/78/23/587757823.db2.gz AXTZVYYZIZEPHV-GWOFURMSSA-N 2 0 236.319 -0.446 20 30 BBEDRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC[N@@H+]1C ZINC000834504427 587757677 /nfs/dbraw/zinc/75/76/77/587757677.db2.gz AXTZVYYZIZEPHV-LMLFDSFASA-N 2 0 236.319 -0.446 20 30 BBEDRP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC[N@@H+]1C ZINC000834504429 587758044 /nfs/dbraw/zinc/75/80/44/587758044.db2.gz AXTZVYYZIZEPHV-YTWAJWBKSA-N 2 0 236.319 -0.446 20 30 BBEDRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834505723 587757984 /nfs/dbraw/zinc/75/79/84/587757984.db2.gz NEWKDUOEIICMSC-GUBZILKMSA-N 2 0 224.308 -0.412 20 30 BBEDRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834505724 587757729 /nfs/dbraw/zinc/75/77/29/587757729.db2.gz NEWKDUOEIICMSC-KXUCPTDWSA-N 2 0 224.308 -0.412 20 30 BBEDRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834505725 587758037 /nfs/dbraw/zinc/75/80/37/587758037.db2.gz NEWKDUOEIICMSC-LPEHRKFASA-N 2 0 224.308 -0.412 20 30 BBEDRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834505726 587757829 /nfs/dbraw/zinc/75/78/29/587757829.db2.gz NEWKDUOEIICMSC-UTLUCORTSA-N 2 0 224.308 -0.412 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000834505735 587757758 /nfs/dbraw/zinc/75/77/58/587757758.db2.gz NKGPVFRMQDAWMF-UTUOFQBUSA-N 2 0 244.298 -0.086 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000834505736 587758048 /nfs/dbraw/zinc/75/80/48/587758048.db2.gz NKGPVFRMQDAWMF-WOPDTQHZSA-N 2 0 244.298 -0.086 20 30 BBEDRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834506058 587757932 /nfs/dbraw/zinc/75/79/32/587757932.db2.gz PMQDXDPWABPJKI-JLIMGVALSA-N 2 0 224.308 -0.412 20 30 BBEDRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834506060 587757964 /nfs/dbraw/zinc/75/79/64/587757964.db2.gz PMQDXDPWABPJKI-JXUBOQSCSA-N 2 0 224.308 -0.412 20 30 BBEDRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834506062 587757867 /nfs/dbraw/zinc/75/78/67/587757867.db2.gz PMQDXDPWABPJKI-QEYWKRMJSA-N 2 0 224.308 -0.412 20 30 BBEDRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834506063 587757920 /nfs/dbraw/zinc/75/79/20/587757920.db2.gz PMQDXDPWABPJKI-XKNYDFJKSA-N 2 0 224.308 -0.412 20 30 BBEDRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834507144 587758112 /nfs/dbraw/zinc/75/81/12/587758112.db2.gz YMAHNPHRIJQHJL-KKZNHRDASA-N 2 0 224.308 -0.268 20 30 BBEDRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834507146 587758163 /nfs/dbraw/zinc/75/81/63/587758163.db2.gz YMAHNPHRIJQHJL-NGZCFLSTSA-N 2 0 224.308 -0.268 20 30 BBEDRP CCC[C@](C)([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834507147 587758386 /nfs/dbraw/zinc/75/83/86/587758386.db2.gz YMAHNPHRIJQHJL-QXEWZRGKSA-N 2 0 224.308 -0.268 20 30 BBEDRP CCC[C@](C)([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834507149 587758135 /nfs/dbraw/zinc/75/81/35/587758135.db2.gz YMAHNPHRIJQHJL-YWVKMMECSA-N 2 0 224.308 -0.268 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+](C)C ZINC000838623921 585063944 /nfs/dbraw/zinc/06/39/44/585063944.db2.gz WRRRSDPDBDMWPH-UHFFFAOYSA-N 2 0 240.351 -0.198 20 30 BBEDRP CC[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CCC[NH2+]1 ZINC000841849684 587977937 /nfs/dbraw/zinc/97/79/37/587977937.db2.gz GWDWFFOPPNUKIY-CKYFFXLPSA-N 2 0 236.319 -0.254 20 30 BBEDRP CC[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CCC[NH2+]1 ZINC000841849685 587977725 /nfs/dbraw/zinc/97/77/25/587977725.db2.gz GWDWFFOPPNUKIY-HOSYDEDBSA-N 2 0 236.319 -0.254 20 30 BBEDRP CC[C@]1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CCC[NH2+]1 ZINC000841849686 583368611 /nfs/dbraw/zinc/36/86/11/583368611.db2.gz GWDWFFOPPNUKIY-JBLDHEPKSA-N 2 0 236.319 -0.254 20 30 BBEDRP CC[C@]1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCC[NH2+]1 ZINC000841849687 583368034 /nfs/dbraw/zinc/36/80/34/583368034.db2.gz GWDWFFOPPNUKIY-JFGNBEQYSA-N 2 0 236.319 -0.254 20 30 BBEDRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C1 ZINC000841849866 587977600 /nfs/dbraw/zinc/97/76/00/587977600.db2.gz NUAOLMGTNOFTEJ-CHWFTXMASA-N 2 0 236.319 -0.398 20 30 BBEDRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000841849867 587977975 /nfs/dbraw/zinc/97/79/75/587977975.db2.gz NUAOLMGTNOFTEJ-RCWTZXSCSA-N 2 0 236.319 -0.398 20 30 BBEDRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000841849868 587977703 /nfs/dbraw/zinc/97/77/03/587977703.db2.gz NUAOLMGTNOFTEJ-VPOLOUISSA-N 2 0 236.319 -0.398 20 30 BBEDRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C1 ZINC000841849869 587977864 /nfs/dbraw/zinc/97/78/64/587977864.db2.gz NUAOLMGTNOFTEJ-ZNSHCXBVSA-N 2 0 236.319 -0.398 20 30 BBEDRP C#CCCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000841886717 587981307 /nfs/dbraw/zinc/98/13/07/587981307.db2.gz RECXDXLHRBUPGF-LLVKDONJSA-N 2 0 238.335 -0.316 20 30 BBEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000841909736 587983830 /nfs/dbraw/zinc/98/38/30/587983830.db2.gz HLMFMVKIJADZCQ-LLVKDONJSA-N 2 0 238.335 -0.397 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)C[NH3+] ZINC000841910978 587984215 /nfs/dbraw/zinc/98/42/15/587984215.db2.gz WDKJMUQKXZEPOJ-JTQLQIEISA-N 2 0 226.324 -0.412 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000843458761 588112019 /nfs/dbraw/zinc/11/20/19/588112019.db2.gz HBBANRIDCQVYNL-BBBLOLIVSA-N 2 0 222.292 -0.644 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000843458762 588111794 /nfs/dbraw/zinc/11/17/94/588111794.db2.gz HBBANRIDCQVYNL-KXUCPTDWSA-N 2 0 222.292 -0.644 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000843458763 588112072 /nfs/dbraw/zinc/11/20/72/588112072.db2.gz HBBANRIDCQVYNL-OPRDCNLKSA-N 2 0 222.292 -0.644 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000843458764 588111707 /nfs/dbraw/zinc/11/17/07/588111707.db2.gz HBBANRIDCQVYNL-UTLUCORTSA-N 2 0 222.292 -0.644 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000843459981 588112292 /nfs/dbraw/zinc/11/22/92/588112292.db2.gz VOGVOBSINZHEIQ-NXEZZACHSA-N 2 0 236.319 -0.124 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000843459982 588112591 /nfs/dbraw/zinc/11/25/91/588112591.db2.gz VOGVOBSINZHEIQ-UWVGGRQHSA-N 2 0 236.319 -0.124 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000843459983 588112845 /nfs/dbraw/zinc/11/28/45/588112845.db2.gz VOGVOBSINZHEIQ-VHSXEESVSA-N 2 0 236.319 -0.124 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000843459984 588112378 /nfs/dbraw/zinc/11/23/78/588112378.db2.gz VOGVOBSINZHEIQ-ZJUUUORDSA-N 2 0 236.319 -0.124 20 30 BBEDRP C[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CCC[NH2+]C1 ZINC000843460030 588112406 /nfs/dbraw/zinc/11/24/06/588112406.db2.gz KYDXIGDCNQIALI-FOGDFJRCSA-N 2 0 236.319 -0.396 20 30 BBEDRP C[C@]1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CCC[NH2+]C1 ZINC000843460031 588112803 /nfs/dbraw/zinc/11/28/03/588112803.db2.gz KYDXIGDCNQIALI-NHCYSSNCSA-N 2 0 236.319 -0.396 20 30 BBEDRP C[C@]1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCC[NH2+]C1 ZINC000843460032 588112251 /nfs/dbraw/zinc/11/22/51/588112251.db2.gz KYDXIGDCNQIALI-SCVCMEIPSA-N 2 0 236.319 -0.396 20 30 BBEDRP C[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CCC[NH2+]C1 ZINC000843460033 588112482 /nfs/dbraw/zinc/11/24/82/588112482.db2.gz KYDXIGDCNQIALI-UMNHJUIQSA-N 2 0 236.319 -0.396 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000843460265 588112604 /nfs/dbraw/zinc/11/26/04/588112604.db2.gz HBBANRIDCQVYNL-AEJSXWLSSA-N 2 0 222.292 -0.644 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000843460268 588112509 /nfs/dbraw/zinc/11/25/09/588112509.db2.gz HBBANRIDCQVYNL-GUBZILKMSA-N 2 0 222.292 -0.644 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000843460271 588112419 /nfs/dbraw/zinc/11/24/19/588112419.db2.gz HBBANRIDCQVYNL-IVZWLZJFSA-N 2 0 222.292 -0.644 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000843460274 588112480 /nfs/dbraw/zinc/11/24/80/588112480.db2.gz HBBANRIDCQVYNL-LPEHRKFASA-N 2 0 222.292 -0.644 20 30 BBEDRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843461132 588112662 /nfs/dbraw/zinc/11/26/62/588112662.db2.gz SFGZEYWPAUNQKL-NXEZZACHSA-N 2 0 238.335 -0.021 20 30 BBEDRP CCC(CC)(C[NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843461133 588112726 /nfs/dbraw/zinc/11/27/26/588112726.db2.gz SFGZEYWPAUNQKL-UWVGGRQHSA-N 2 0 238.335 -0.021 20 30 BBEDRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843461134 588112448 /nfs/dbraw/zinc/11/24/48/588112448.db2.gz SFGZEYWPAUNQKL-VHSXEESVSA-N 2 0 238.335 -0.021 20 30 BBEDRP CCC(CC)(C[NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000843461135 588112719 /nfs/dbraw/zinc/11/27/19/588112719.db2.gz SFGZEYWPAUNQKL-ZJUUUORDSA-N 2 0 238.335 -0.021 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1c[nH+]ccc1N ZINC000843461370 588112729 /nfs/dbraw/zinc/11/27/29/588112729.db2.gz ULPVKGQVAHYQPO-GMSGAONNSA-N 2 0 231.259 -0.664 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1c[nH+]ccc1N ZINC000843461372 588112666 /nfs/dbraw/zinc/11/26/66/588112666.db2.gz ULPVKGQVAHYQPO-OIBJUYFYSA-N 2 0 231.259 -0.664 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1c[nH+]ccc1N ZINC000843461374 588112531 /nfs/dbraw/zinc/11/25/31/588112531.db2.gz ULPVKGQVAHYQPO-XCBNKYQSSA-N 2 0 231.259 -0.664 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1c[nH+]ccc1N ZINC000843461377 588112520 /nfs/dbraw/zinc/11/25/20/588112520.db2.gz ULPVKGQVAHYQPO-XVKPBYJWSA-N 2 0 231.259 -0.664 20 30 BBEDRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843462159 588112538 /nfs/dbraw/zinc/11/25/38/588112538.db2.gz OONDAVGIRLSEFK-DJLDLDEBSA-N 2 0 224.308 -0.412 20 30 BBEDRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000843462167 588112704 /nfs/dbraw/zinc/11/27/04/588112704.db2.gz OONDAVGIRLSEFK-HRDYMLBCSA-N 2 0 224.308 -0.412 20 30 BBEDRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843462170 588112494 /nfs/dbraw/zinc/11/24/94/588112494.db2.gz OONDAVGIRLSEFK-IWSPIJDZSA-N 2 0 224.308 -0.412 20 30 BBEDRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843462172 588112475 /nfs/dbraw/zinc/11/24/75/588112475.db2.gz OONDAVGIRLSEFK-XHNCKOQMSA-N 2 0 224.308 -0.412 20 30 BBEDRP CC(C)([NH3+])CCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000843462294 588112534 /nfs/dbraw/zinc/11/25/34/588112534.db2.gz PGJAFCMHYFDKBU-BDAKNGLRSA-N 2 0 224.308 -0.268 20 30 BBEDRP CC(C)([NH3+])CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843462295 588112463 /nfs/dbraw/zinc/11/24/63/588112463.db2.gz PGJAFCMHYFDKBU-DTWKUNHWSA-N 2 0 224.308 -0.268 20 30 BBEDRP CC(C)([NH3+])CCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843462296 588112507 /nfs/dbraw/zinc/11/25/07/588112507.db2.gz PGJAFCMHYFDKBU-IUCAKERBSA-N 2 0 224.308 -0.268 20 30 BBEDRP CC(C)([NH3+])CCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843462297 588112773 /nfs/dbraw/zinc/11/27/73/588112773.db2.gz PGJAFCMHYFDKBU-RKDXNWHRSA-N 2 0 224.308 -0.268 20 30 BBEDRP CC(C)[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)[NH+](C)C ZINC000844194524 588172659 /nfs/dbraw/zinc/17/26/59/588172659.db2.gz JRBREBWBALVDLK-GARJFASQSA-N 2 0 238.335 -0.200 20 30 BBEDRP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[NH+](C)C ZINC000844194525 588172970 /nfs/dbraw/zinc/17/29/70/588172970.db2.gz JRBREBWBALVDLK-GMTAPVOTSA-N 2 0 238.335 -0.200 20 30 BBEDRP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[NH+](C)C ZINC000844194526 582575816 /nfs/dbraw/zinc/57/58/16/582575816.db2.gz JRBREBWBALVDLK-HBNTYKKESA-N 2 0 238.335 -0.200 20 30 BBEDRP CC(C)[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)[NH+](C)C ZINC000844194529 582575869 /nfs/dbraw/zinc/57/58/69/582575869.db2.gz JRBREBWBALVDLK-OUAUKWLOSA-N 2 0 238.335 -0.200 20 30 BBEDRP C[C@@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)[NH+](C)C ZINC000844195228 588173454 /nfs/dbraw/zinc/17/34/54/588173454.db2.gz SRWBTRDIGWKKEB-CIUDSAMLSA-N 2 0 210.281 -0.836 20 30 BBEDRP C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[NH+](C)C ZINC000844195232 588173143 /nfs/dbraw/zinc/17/31/43/588173143.db2.gz SRWBTRDIGWKKEB-DJLDLDEBSA-N 2 0 210.281 -0.836 20 30 BBEDRP C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[NH+](C)C ZINC000844195233 588173282 /nfs/dbraw/zinc/17/32/82/588173282.db2.gz SRWBTRDIGWKKEB-XHNCKOQMSA-N 2 0 210.281 -0.836 20 30 BBEDRP C[C@@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)[NH+](C)C ZINC000844195234 588173215 /nfs/dbraw/zinc/17/32/15/588173215.db2.gz SRWBTRDIGWKKEB-YIZRAAEISA-N 2 0 210.281 -0.836 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846677331 588282388 /nfs/dbraw/zinc/28/23/88/588282388.db2.gz LNXGUZLEHUUTSS-KKOKHZNYSA-N 2 0 248.330 -0.255 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846677332 588282221 /nfs/dbraw/zinc/28/22/21/588282221.db2.gz LNXGUZLEHUUTSS-KXNHARMFSA-N 2 0 248.330 -0.255 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846677334 588282402 /nfs/dbraw/zinc/28/24/02/588282402.db2.gz LNXGUZLEHUUTSS-RHYQMDGZSA-N 2 0 248.330 -0.255 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846677336 588282410 /nfs/dbraw/zinc/28/24/10/588282410.db2.gz LNXGUZLEHUUTSS-WYUUTHIRSA-N 2 0 248.330 -0.255 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000846677482 588282244 /nfs/dbraw/zinc/28/22/44/588282244.db2.gz NBRRUDJNMOLKKH-AXFHLTTASA-N 2 0 236.319 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000846677483 588282423 /nfs/dbraw/zinc/28/24/23/588282423.db2.gz NBRRUDJNMOLKKH-GMTAPVOTSA-N 2 0 236.319 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000846677484 588282429 /nfs/dbraw/zinc/28/24/29/588282429.db2.gz NBRRUDJNMOLKKH-HBNTYKKESA-N 2 0 236.319 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000846677485 588282162 /nfs/dbraw/zinc/28/21/62/588282162.db2.gz NBRRUDJNMOLKKH-MXWKQRLJSA-N 2 0 236.319 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000846678868 588282260 /nfs/dbraw/zinc/28/22/60/588282260.db2.gz WUDAVVCFDULVGB-LNFKQOIKSA-N 2 0 236.319 -0.268 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000846678872 588282406 /nfs/dbraw/zinc/28/24/06/588282406.db2.gz WUDAVVCFDULVGB-MMWGEVLESA-N 2 0 236.319 -0.268 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000846678874 588282253 /nfs/dbraw/zinc/28/22/53/588282253.db2.gz WUDAVVCFDULVGB-UKKRHICBSA-N 2 0 236.319 -0.268 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000846678876 588282216 /nfs/dbraw/zinc/28/22/16/588282216.db2.gz WUDAVVCFDULVGB-ZDCRXTMVSA-N 2 0 236.319 -0.268 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848418406 588382144 /nfs/dbraw/zinc/38/21/44/588382144.db2.gz KBGMESWHLSQDKG-BLFANLJRSA-N 2 0 248.330 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848418407 588382557 /nfs/dbraw/zinc/38/25/57/588382557.db2.gz KBGMESWHLSQDKG-DCQANWLSSA-N 2 0 248.330 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000848418408 588382042 /nfs/dbraw/zinc/38/20/42/588382042.db2.gz KBGMESWHLSQDKG-HNCHTBHHSA-N 2 0 248.330 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848418409 588382265 /nfs/dbraw/zinc/38/22/65/588382265.db2.gz KBGMESWHLSQDKG-MPPDQPJWSA-N 2 0 248.330 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000848418410 588382327 /nfs/dbraw/zinc/38/23/27/588382327.db2.gz KEKQPKZCBRMJDE-PSASIEDQSA-N 2 0 222.292 -0.644 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000848418411 588382121 /nfs/dbraw/zinc/38/21/21/588382121.db2.gz KEKQPKZCBRMJDE-SCZZXKLOSA-N 2 0 222.292 -0.644 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000848418412 588382527 /nfs/dbraw/zinc/38/25/27/588382527.db2.gz KEKQPKZCBRMJDE-WCBMZHEXSA-N 2 0 222.292 -0.644 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000848418413 588382399 /nfs/dbraw/zinc/38/23/99/588382399.db2.gz KEKQPKZCBRMJDE-WPRPVWTQSA-N 2 0 222.292 -0.644 20 30 BBEDRP CN1CC[NH+]=C1NCCC[NH+]1CCC(O)CC1 ZINC000848987820 588426518 /nfs/dbraw/zinc/42/65/18/588426518.db2.gz DJNNZXDYYAJGHP-UHFFFAOYSA-N 2 0 240.351 -0.276 20 30 BBEDRP C[C@H]1C[NH+]=C(NCCC[NH+]2CCC(O)CC2)N1 ZINC000848987853 588426503 /nfs/dbraw/zinc/42/65/03/588426503.db2.gz IPZPEXUMSSESJJ-JTQLQIEISA-N 2 0 240.351 -0.230 20 30 BBEDRP C[C@@H]1C[NH+]=C(NCCC[NH+]2CCC(O)CC2)N1 ZINC000848987854 588426460 /nfs/dbraw/zinc/42/64/60/588426460.db2.gz IPZPEXUMSSESJJ-SNVBAGLBSA-N 2 0 240.351 -0.230 20 30 BBEDRP CN1CC[NH+]=C1NCCCC[NH+]1CCOCC1 ZINC000848989561 588426645 /nfs/dbraw/zinc/42/66/45/588426645.db2.gz XFDLLFSWYZCIJV-UHFFFAOYSA-N 2 0 240.351 -0.010 20 30 BBEDRP COCC[N@H+](C)CCCNC1=[NH+]C[C@H](C)N1 ZINC000848993184 588427674 /nfs/dbraw/zinc/42/76/74/588427674.db2.gz FOXFGFCNACATES-JTQLQIEISA-N 2 0 228.340 -0.108 20 30 BBEDRP COCC[N@H+](C)CCCNC1=[NH+]C[C@@H](C)N1 ZINC000848993185 588427962 /nfs/dbraw/zinc/42/79/62/588427962.db2.gz FOXFGFCNACATES-SNVBAGLBSA-N 2 0 228.340 -0.108 20 30 BBEDRP COCC[N@H+](C)CCCNC1=[NH+]CCN1C ZINC000848993259 588427925 /nfs/dbraw/zinc/42/79/25/588427925.db2.gz QWFIVVYZCSZRFF-UHFFFAOYSA-N 2 0 228.340 -0.154 20 30 BBEDRP CNC(NCCN1CC[N@H+](C)C(C)(C)C1)=[NH+]C ZINC000849026698 588440859 /nfs/dbraw/zinc/44/08/59/588440859.db2.gz OJLFVHOSDFTHFW-UHFFFAOYSA-N 2 0 241.383 -0.193 20 30 BBEDRP CN(CCCNC1=[NH+]CCN1C)CC[NH+](C)C ZINC000849028307 588441298 /nfs/dbraw/zinc/44/12/98/588441298.db2.gz PQRDFKRTWUBDMH-UHFFFAOYSA-N 2 0 241.383 -0.239 20 30 BBEDRP CNC(NCCCN(C)CC[NH+](C)C)=[NH+]C ZINC000849028332 582831159 /nfs/dbraw/zinc/83/11/59/582831159.db2.gz RAJBOICFYXKBBO-UHFFFAOYSA-N 2 0 229.372 -0.335 20 30 BBEDRP C[C@@H]1C[NH+]=C(NCCCN(C)CC[NH+](C)C)N1 ZINC000849028445 588441589 /nfs/dbraw/zinc/44/15/89/588441589.db2.gz VTAJGFDGHREETI-LLVKDONJSA-N 2 0 241.383 -0.193 20 30 BBEDRP C[C@H]1C[NH+]=C(NCCCN(C)CC[NH+](C)C)N1 ZINC000849028446 588441564 /nfs/dbraw/zinc/44/15/64/588441564.db2.gz VTAJGFDGHREETI-NSHDSACASA-N 2 0 241.383 -0.193 20 30 BBEDRP CNC(NC[C@@H]1CCC[N@@H+]1CCCO)=[NH+]C ZINC000849034442 588444229 /nfs/dbraw/zinc/44/42/29/588444229.db2.gz VTHODKXRXJKDDY-JTQLQIEISA-N 2 0 228.340 -0.372 20 30 BBEDRP CNC(NC[C@H]1CCC[N@@H+]1CCCO)=[NH+]C ZINC000849034443 588444332 /nfs/dbraw/zinc/44/43/32/588444332.db2.gz VTHODKXRXJKDDY-SNVBAGLBSA-N 2 0 228.340 -0.372 20 30 BBEDRP CNC(NCCN(C)CCC[NH+](C)C)=[NH+]C ZINC000849215054 588462046 /nfs/dbraw/zinc/46/20/46/588462046.db2.gz KUNMLLFPDXJFBC-UHFFFAOYSA-N 2 0 229.372 -0.335 20 30 BBEDRP C#CCNC(=O)NCCN(C)CCC[NH+](C)C ZINC000849225871 588463236 /nfs/dbraw/zinc/46/32/36/588463236.db2.gz FLKSMYJWDZTRBV-UHFFFAOYSA-N 2 0 240.351 -0.198 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH2+]C ZINC000851661773 588613684 /nfs/dbraw/zinc/61/36/84/588613684.db2.gz OCBAJSXBKRRCOE-LLVKDONJSA-N 2 0 240.351 -0.151 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)C[NH2+]C ZINC000851661774 588613732 /nfs/dbraw/zinc/61/37/32/588613732.db2.gz OCBAJSXBKRRCOE-NSHDSACASA-N 2 0 240.351 -0.151 20 30 BBEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC000852789533 588702508 /nfs/dbraw/zinc/70/25/08/588702508.db2.gz AWSGDUIHIKPGAA-UHFFFAOYSA-N 2 0 235.331 -0.189 20 30 BBEDRP [NH3+][C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852789981 588702576 /nfs/dbraw/zinc/70/25/76/588702576.db2.gz IMVOQMIGIXDUTN-LLVKDONJSA-N 2 0 221.304 -0.451 20 30 BBEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000852789999 588702846 /nfs/dbraw/zinc/70/28/46/588702846.db2.gz IWBWYXZRJDRKFS-UHFFFAOYSA-N 2 0 221.304 -0.579 20 30 BBEDRP [NH3+]CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852790252 588702749 /nfs/dbraw/zinc/70/27/49/588702749.db2.gz MWBLMDFPDNRHGX-UHFFFAOYSA-N 2 0 209.293 -0.546 20 30 BBEDRP [NH3+][C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852790370 588702989 /nfs/dbraw/zinc/70/29/89/588702989.db2.gz QETUVGPSEIFNKV-GFCCVEGCSA-N 2 0 235.331 -0.061 20 30 BBEDRP [NH3+][C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852790371 588702984 /nfs/dbraw/zinc/70/29/84/588702984.db2.gz QETUVGPSEIFNKV-LBPRGKRZSA-N 2 0 235.331 -0.061 20 30 BBEDRP C[NH2+][C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852791244 588702997 /nfs/dbraw/zinc/70/29/97/588702997.db2.gz ZUMYMUGVKYUKQI-GFCCVEGCSA-N 2 0 235.331 -0.190 20 30 BBEDRP C[NH2+][C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852791245 588703019 /nfs/dbraw/zinc/70/30/19/588703019.db2.gz ZUMYMUGVKYUKQI-LBPRGKRZSA-N 2 0 235.331 -0.190 20 30 BBEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCC[NH2+]C1 ZINC000852792249 588702920 /nfs/dbraw/zinc/70/29/20/588702920.db2.gz TXFMPXLVPAIGEP-GFCCVEGCSA-N 2 0 235.331 -0.142 20 30 BBEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCC[NH2+]C1 ZINC000852792250 588703071 /nfs/dbraw/zinc/70/30/71/588703071.db2.gz TXFMPXLVPAIGEP-LBPRGKRZSA-N 2 0 235.331 -0.142 20 30 BBEDRP C[NH2+]CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852792993 588702881 /nfs/dbraw/zinc/70/28/81/588702881.db2.gz LNWBKQUSUKHZQA-UHFFFAOYSA-N 2 0 223.320 -0.285 20 30 BBEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C1 ZINC000852793670 588703306 /nfs/dbraw/zinc/70/33/06/588703306.db2.gz FIRJGVSJZAASHA-LLVKDONJSA-N 2 0 221.304 -0.533 20 30 BBEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[NH2+]C1 ZINC000852793671 588703141 /nfs/dbraw/zinc/70/31/41/588703141.db2.gz FIRJGVSJZAASHA-NSHDSACASA-N 2 0 221.304 -0.533 20 30 BBEDRP [NH3+][C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852793944 588703154 /nfs/dbraw/zinc/70/31/54/588703154.db2.gz IMVOQMIGIXDUTN-NSHDSACASA-N 2 0 221.304 -0.451 20 30 BBEDRP C[C@H]([NH3+])CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852794586 588703215 /nfs/dbraw/zinc/70/32/15/588703215.db2.gz QXGPDSMQPWOASE-JTQLQIEISA-N 2 0 223.320 -0.157 20 30 BBEDRP C[C@@H]1C[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852795427 588703595 /nfs/dbraw/zinc/70/35/95/588703595.db2.gz YBOCHXNXJQRNOA-LLVKDONJSA-N 2 0 235.331 -0.190 20 30 BBEDRP C[C@H]1C[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852795433 588703453 /nfs/dbraw/zinc/70/34/53/588703453.db2.gz YBOCHXNXJQRNOA-NSHDSACASA-N 2 0 235.331 -0.190 20 30 BBEDRP O=C(C#CC1CC[NH2+]CC1)NCC[NH2+]C1CC1 ZINC000852795914 588703518 /nfs/dbraw/zinc/70/35/18/588703518.db2.gz LCRJJTFVJISQAR-UHFFFAOYSA-N 2 0 235.331 -0.142 20 30 BBEDRP CC[NH2+]CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852796119 588703452 /nfs/dbraw/zinc/70/34/52/588703452.db2.gz NXEGXUKXPZUIDY-UHFFFAOYSA-N 2 0 223.320 -0.285 20 30 BBEDRP C[NH2+]CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852796122 588703376 /nfs/dbraw/zinc/70/33/76/588703376.db2.gz NYUNGMPVBAGQFX-UHFFFAOYSA-N 2 0 209.293 -0.675 20 30 BBEDRP CC(C)(C[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852796469 588703533 /nfs/dbraw/zinc/70/35/33/588703533.db2.gz UGELAHFZWGNNFG-UHFFFAOYSA-N 2 0 223.320 -0.157 20 30 BBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CCC[NH2+]1 ZINC000852796693 588703601 /nfs/dbraw/zinc/70/36/01/588703601.db2.gz SNQFNGGGUBQUCC-GFCCVEGCSA-N 2 0 235.331 -0.142 20 30 BBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CCC[NH2+]1 ZINC000852796694 588703456 /nfs/dbraw/zinc/70/34/56/588703456.db2.gz SNQFNGGGUBQUCC-LBPRGKRZSA-N 2 0 235.331 -0.142 20 30 BBEDRP C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000852797290 588703775 /nfs/dbraw/zinc/70/37/75/588703775.db2.gz NPBIFUARZOYHHJ-LLVKDONJSA-N 2 0 235.331 -0.190 20 30 BBEDRP C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000852797291 588703807 /nfs/dbraw/zinc/70/38/07/588703807.db2.gz NPBIFUARZOYHHJ-NSHDSACASA-N 2 0 235.331 -0.190 20 30 BBEDRP C[C@@H](C[NH3+])N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852797398 588703747 /nfs/dbraw/zinc/70/37/47/588703747.db2.gz QZIIUEGYAVGSGY-JTQLQIEISA-N 2 0 223.320 -0.205 20 30 BBEDRP C[C@H](C[NH3+])N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852797399 588703627 /nfs/dbraw/zinc/70/36/27/588703627.db2.gz QZIIUEGYAVGSGY-SNVBAGLBSA-N 2 0 223.320 -0.205 20 30 BBEDRP CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000852797709 588703611 /nfs/dbraw/zinc/70/36/11/588703611.db2.gz ZQJMFWUJXUWMRE-GFCCVEGCSA-N 2 0 235.331 -0.190 20 30 BBEDRP CN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000852797710 588703686 /nfs/dbraw/zinc/70/36/86/588703686.db2.gz ZQJMFWUJXUWMRE-LBPRGKRZSA-N 2 0 235.331 -0.190 20 30 BBEDRP [NH3+]C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)C1CC1 ZINC000852798807 588704122 /nfs/dbraw/zinc/70/41/22/588704122.db2.gz OBNFKIHNONMASD-GFCCVEGCSA-N 2 0 235.331 -0.157 20 30 BBEDRP [NH3+]C[C@H](NC(=O)C#CC1CC[NH2+]CC1)C1CC1 ZINC000852798808 588704136 /nfs/dbraw/zinc/70/41/36/588704136.db2.gz OBNFKIHNONMASD-LBPRGKRZSA-N 2 0 235.331 -0.157 20 30 BBEDRP CC(C)([NH3+])CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852799234 588703938 /nfs/dbraw/zinc/70/39/38/588703938.db2.gz RGDBYNUJYYRYFB-UHFFFAOYSA-N 2 0 223.320 -0.157 20 30 BBEDRP CN(CCC[NH3+])C(=O)C#CC1CC[NH2+]CC1 ZINC000852799490 588704085 /nfs/dbraw/zinc/70/40/85/588704085.db2.gz UGEYVFBXBCLVAX-UHFFFAOYSA-N 2 0 223.320 -0.203 20 30 BBEDRP CC(C)[NH2+]CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000852827153 588706307 /nfs/dbraw/zinc/70/63/07/588706307.db2.gz CEKWSUQQPRWVPK-BDAKNGLRSA-N 2 0 210.281 -0.788 20 30 BBEDRP CC(C)[NH2+]CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000852827154 588706319 /nfs/dbraw/zinc/70/63/19/588706319.db2.gz CEKWSUQQPRWVPK-DTWKUNHWSA-N 2 0 210.281 -0.788 20 30 BBEDRP CC(C)[NH2+]CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000852827155 588706338 /nfs/dbraw/zinc/70/63/38/588706338.db2.gz CEKWSUQQPRWVPK-IUCAKERBSA-N 2 0 210.281 -0.788 20 30 BBEDRP CC(C)[NH2+]CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000852827156 588706256 /nfs/dbraw/zinc/70/62/56/588706256.db2.gz CEKWSUQQPRWVPK-RKDXNWHRSA-N 2 0 210.281 -0.788 20 30 BBEDRP CC[C@H]([NH2+]C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000852827356 588706359 /nfs/dbraw/zinc/70/63/59/588706359.db2.gz HAKFLKVKHQJDCN-CIUDSAMLSA-N 2 0 210.281 -0.788 20 30 BBEDRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000852827357 588706373 /nfs/dbraw/zinc/70/63/73/588706373.db2.gz HAKFLKVKHQJDCN-HRDYMLBCSA-N 2 0 210.281 -0.788 20 30 BBEDRP CC[C@H]([NH2+]C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000852827358 588706239 /nfs/dbraw/zinc/70/62/39/588706239.db2.gz HAKFLKVKHQJDCN-VGMNWLOBSA-N 2 0 210.281 -0.788 20 30 BBEDRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000852827359 588706463 /nfs/dbraw/zinc/70/64/63/588706463.db2.gz HAKFLKVKHQJDCN-XHNCKOQMSA-N 2 0 210.281 -0.788 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000852827704 588706203 /nfs/dbraw/zinc/70/62/03/588706203.db2.gz NXBBZGZDQKJLAX-AXTSPUMRSA-N 2 0 222.292 -0.658 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000852827705 588706258 /nfs/dbraw/zinc/70/62/58/588706258.db2.gz NXBBZGZDQKJLAX-QEYWKRMJSA-N 2 0 222.292 -0.658 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000852827706 588706441 /nfs/dbraw/zinc/70/64/41/588706441.db2.gz NXBBZGZDQKJLAX-RGOKHQFPSA-N 2 0 222.292 -0.658 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000852827707 588706201 /nfs/dbraw/zinc/70/62/01/588706201.db2.gz NXBBZGZDQKJLAX-UTINFBMNSA-N 2 0 222.292 -0.658 20 30 BBEDRP [NH3+][C@H](CNC(=O)C#CC1CC[NH2+]CC1)C1CC1 ZINC000852874063 588709884 /nfs/dbraw/zinc/70/98/84/588709884.db2.gz KAJMJZWXQUBMSY-GFCCVEGCSA-N 2 0 235.331 -0.157 20 30 BBEDRP [NH3+][C@@H](CNC(=O)C#CC1CC[NH2+]CC1)C1CC1 ZINC000852874065 583021791 /nfs/dbraw/zinc/02/17/91/583021791.db2.gz KAJMJZWXQUBMSY-LBPRGKRZSA-N 2 0 235.331 -0.157 20 30 BBEDRP C[C@@H](CC[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852874170 588709832 /nfs/dbraw/zinc/70/98/32/588709832.db2.gz IIDWDOHAZUMQFI-JTQLQIEISA-N 2 0 223.320 -0.157 20 30 BBEDRP C[C@H](CC[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852874171 588709698 /nfs/dbraw/zinc/70/96/98/588709698.db2.gz IIDWDOHAZUMQFI-SNVBAGLBSA-N 2 0 223.320 -0.157 20 30 BBEDRP C[C@@H](C[NH3+])CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852874220 588709772 /nfs/dbraw/zinc/70/97/72/588709772.db2.gz NNUQCOKCRDEPKH-JTQLQIEISA-N 2 0 223.320 -0.300 20 30 BBEDRP C[C@H](C[NH3+])CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852874221 588709729 /nfs/dbraw/zinc/70/97/29/588709729.db2.gz NNUQCOKCRDEPKH-SNVBAGLBSA-N 2 0 223.320 -0.300 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000852874503 588709887 /nfs/dbraw/zinc/70/98/87/588709887.db2.gz ADRYFWXPIVSJLU-GXSJLCMTSA-N 2 0 248.330 -0.111 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000852874504 588709955 /nfs/dbraw/zinc/70/99/55/588709955.db2.gz ADRYFWXPIVSJLU-KOLCDFICSA-N 2 0 248.330 -0.111 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000852874505 588709821 /nfs/dbraw/zinc/70/98/21/588709821.db2.gz ADRYFWXPIVSJLU-MWLCHTKSSA-N 2 0 248.330 -0.111 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000852874507 588709828 /nfs/dbraw/zinc/70/98/28/588709828.db2.gz ADRYFWXPIVSJLU-ONGXEEELSA-N 2 0 248.330 -0.111 20 30 BBEDRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000852874847 588710075 /nfs/dbraw/zinc/71/00/75/588710075.db2.gz DCJOIEYFRXVJGZ-IVZWLZJFSA-N 2 0 236.319 -0.398 20 30 BBEDRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000852874848 588710047 /nfs/dbraw/zinc/71/00/47/588710047.db2.gz DCJOIEYFRXVJGZ-KXUCPTDWSA-N 2 0 236.319 -0.398 20 30 BBEDRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000852874850 588710029 /nfs/dbraw/zinc/71/00/29/588710029.db2.gz DCJOIEYFRXVJGZ-LPEHRKFASA-N 2 0 236.319 -0.398 20 30 BBEDRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000852874851 588709999 /nfs/dbraw/zinc/70/99/99/588709999.db2.gz DCJOIEYFRXVJGZ-OPRDCNLKSA-N 2 0 236.319 -0.398 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852874872 588710114 /nfs/dbraw/zinc/71/01/14/588710114.db2.gz DIRCUUQXBNICHR-NEPJUHHUSA-N 2 0 246.314 -0.783 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852874874 588710035 /nfs/dbraw/zinc/71/00/35/588710035.db2.gz DIRCUUQXBNICHR-NWDGAFQWSA-N 2 0 246.314 -0.783 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852874875 588710162 /nfs/dbraw/zinc/71/01/62/588710162.db2.gz DIRCUUQXBNICHR-RYUDHWBXSA-N 2 0 246.314 -0.783 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852874877 588710123 /nfs/dbraw/zinc/71/01/23/588710123.db2.gz DIRCUUQXBNICHR-VXGBXAGGSA-N 2 0 246.314 -0.783 20 30 BBEDRP C=CC[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CCC[NH2+]1 ZINC000852875347 588710127 /nfs/dbraw/zinc/71/01/27/588710127.db2.gz IQROJVPWFWPUIW-DMDPSCGWSA-N 2 0 248.330 -0.088 20 30 BBEDRP C=CC[C@]1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CCC[NH2+]1 ZINC000852875349 588710057 /nfs/dbraw/zinc/71/00/57/588710057.db2.gz IQROJVPWFWPUIW-GMXVVIOVSA-N 2 0 248.330 -0.088 20 30 BBEDRP C=CC[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CCC[NH2+]1 ZINC000852875352 588710031 /nfs/dbraw/zinc/71/00/31/588710031.db2.gz IQROJVPWFWPUIW-NQBHXWOUSA-N 2 0 248.330 -0.088 20 30 BBEDRP C=CC[C@]1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCC[NH2+]1 ZINC000852875353 588710283 /nfs/dbraw/zinc/71/02/83/588710283.db2.gz IQROJVPWFWPUIW-NTZNESFSSA-N 2 0 248.330 -0.088 20 30 BBEDRP C[NH2+]CCN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852875503 588710153 /nfs/dbraw/zinc/71/01/53/588710153.db2.gz YHACBMRBKDWTCW-UHFFFAOYSA-N 2 0 223.320 -0.333 20 30 BBEDRP [NH3+]C1(CNC(=O)C#CC2CC[NH2+]CC2)CCC1 ZINC000852875840 588710181 /nfs/dbraw/zinc/71/01/81/588710181.db2.gz RCUAPWWKXQICOB-UHFFFAOYSA-N 2 0 235.331 -0.013 20 30 BBEDRP C[C@H](C[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852876213 588710028 /nfs/dbraw/zinc/71/00/28/588710028.db2.gz FGSIZFRLJUNWKP-SECBINFHSA-N 2 0 209.293 -0.547 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000852876289 588710139 /nfs/dbraw/zinc/71/01/39/588710139.db2.gz XHJWOLRQEVEGIQ-HTQZYQBOSA-N 2 0 208.265 -0.904 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000852876290 588710119 /nfs/dbraw/zinc/71/01/19/588710119.db2.gz XHJWOLRQEVEGIQ-JGVFFNPUSA-N 2 0 208.265 -0.904 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000852876291 588710241 /nfs/dbraw/zinc/71/02/41/588710241.db2.gz XHJWOLRQEVEGIQ-SFYZADRCSA-N 2 0 208.265 -0.904 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000852876292 588710338 /nfs/dbraw/zinc/71/03/38/588710338.db2.gz XHJWOLRQEVEGIQ-YUMQZZPRSA-N 2 0 208.265 -0.904 20 30 BBEDRP C[C@@H]([NH3+])CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852877241 588710298 /nfs/dbraw/zinc/71/02/98/588710298.db2.gz DKKWWSGHABRTJC-SECBINFHSA-N 2 0 209.293 -0.547 20 30 BBEDRP C[C@H]([NH3+])CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852877242 588709520 /nfs/dbraw/zinc/70/95/20/588709520.db2.gz DKKWWSGHABRTJC-VIFPVBQESA-N 2 0 209.293 -0.547 20 30 BBEDRP C[C@@H](C[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852877887 583021196 /nfs/dbraw/zinc/02/11/96/583021196.db2.gz FGSIZFRLJUNWKP-VIFPVBQESA-N 2 0 209.293 -0.547 20 30 BBEDRP O=C(C#CC1CC[NH2+]CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000852879595 583021627 /nfs/dbraw/zinc/02/16/27/583021627.db2.gz XVGPXEKPWRIRKK-BETUJISGSA-N 2 0 247.342 -0.333 20 30 BBEDRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852879736 588710585 /nfs/dbraw/zinc/71/05/85/588710585.db2.gz GYEDRNOZLIFRKC-JQWIXIFHSA-N 2 0 235.331 -0.063 20 30 BBEDRP C[NH+](C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852880359 588710924 /nfs/dbraw/zinc/71/09/24/588710924.db2.gz MOEATXNIAMKSEH-UHFFFAOYSA-N 2 0 223.320 -0.333 20 30 BBEDRP CN(C(=O)C#CC1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000852880664 588711001 /nfs/dbraw/zinc/71/10/01/588711001.db2.gz CXHDRAPMPNKQMW-UHFFFAOYSA-N 2 0 235.331 -0.063 20 30 BBEDRP CC[C@@H]([NH3+])CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852881337 588710946 /nfs/dbraw/zinc/71/09/46/588710946.db2.gz KDZMEYKVCBAWBX-LLVKDONJSA-N 2 0 223.320 -0.157 20 30 BBEDRP CC[C@H]([NH3+])CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852881338 588710919 /nfs/dbraw/zinc/71/09/19/588710919.db2.gz KDZMEYKVCBAWBX-NSHDSACASA-N 2 0 223.320 -0.157 20 30 BBEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000852881582 588710918 /nfs/dbraw/zinc/71/09/18/588710918.db2.gz NEOOZTKRZDQQHY-PJXYFTJBSA-N 2 0 233.315 -0.677 20 30 BBEDRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852881954 588710989 /nfs/dbraw/zinc/71/09/89/588710989.db2.gz UHNRTRPPCOCYSZ-NXEZZACHSA-N 2 0 223.320 -0.159 20 30 BBEDRP C[C@H]([NH3+])[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852881955 588710618 /nfs/dbraw/zinc/71/06/18/588710618.db2.gz UHNRTRPPCOCYSZ-UWVGGRQHSA-N 2 0 223.320 -0.159 20 30 BBEDRP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000852881956 588710631 /nfs/dbraw/zinc/71/06/31/588710631.db2.gz UHNRTRPPCOCYSZ-VHSXEESVSA-N 2 0 223.320 -0.159 20 30 BBEDRP C[C@@H]([NH3+])[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852881957 588710738 /nfs/dbraw/zinc/71/07/38/588710738.db2.gz UHNRTRPPCOCYSZ-ZJUUUORDSA-N 2 0 223.320 -0.159 20 30 BBEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852883223 588711212 /nfs/dbraw/zinc/71/12/12/588711212.db2.gz VIVHGVYNTUQUGD-OLZOCXBDSA-N 2 0 247.342 -0.190 20 30 BBEDRP CN(CC[NH3+])C(=O)C#CC1CC[NH2+]CC1 ZINC000852890261 588711543 /nfs/dbraw/zinc/71/15/43/588711543.db2.gz IBOBWYBHYYEMMY-UHFFFAOYSA-N 2 0 209.293 -0.594 20 30 BBEDRP [NH3+]CC12CC(C1)CN2C(=O)C#CC1CC[NH2+]CC1 ZINC000852909325 588712831 /nfs/dbraw/zinc/71/28/31/588712831.db2.gz RODAWXVWGKYXRX-UHFFFAOYSA-N 2 0 247.342 -0.061 20 30 BBEDRP O=C(C#CC1CC[NH2+]CC1)NCC12CC(C1)C[NH2+]2 ZINC000852915753 588713001 /nfs/dbraw/zinc/71/30/01/588713001.db2.gz KYQIOMTZNXJWEK-UHFFFAOYSA-N 2 0 247.342 -0.142 20 30 BBEDRP C[NH2+]C[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852924151 588713759 /nfs/dbraw/zinc/71/37/59/588713759.db2.gz NKCBBVBPDFWRFT-JTQLQIEISA-N 2 0 223.320 -0.287 20 30 BBEDRP C[NH2+]C[C@@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852924303 588713520 /nfs/dbraw/zinc/71/35/20/588713520.db2.gz NKCBBVBPDFWRFT-SNVBAGLBSA-N 2 0 223.320 -0.287 20 30 BBEDRP C[C@@]1(NC(=O)C#CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000852930509 588713949 /nfs/dbraw/zinc/71/39/49/588713949.db2.gz KUBLQWKHZTWYKT-CYBMUJFWSA-N 2 0 235.331 -0.142 20 30 BBEDRP C[C@]1(NC(=O)C#CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000852930510 588713916 /nfs/dbraw/zinc/71/39/16/588713916.db2.gz KUBLQWKHZTWYKT-ZDUSSCGKSA-N 2 0 235.331 -0.142 20 30 BBEDRP Cc1ncc(C=NNC2=[NH+]C[C@@H](C)N2)n1C ZINC000853329958 588733700 /nfs/dbraw/zinc/73/37/00/588733700.db2.gz HPLAPIJIERICOX-SSDOTTSWSA-N 2 0 220.280 0.000 20 30 BBEDRP Cc1ncc(C=NNC2=[NH+]C[C@H](C)N2)n1C ZINC000853329959 588733683 /nfs/dbraw/zinc/73/36/83/588733683.db2.gz HPLAPIJIERICOX-ZETCQYMHSA-N 2 0 220.280 0.000 20 30 BBEDRP C=C(C[NH+](C)C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000854465381 588788534 /nfs/dbraw/zinc/78/85/34/588788534.db2.gz QUJVALVFYDOKAK-JTQLQIEISA-N 2 0 229.324 -0.857 20 30 BBEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000854465382 588788498 /nfs/dbraw/zinc/78/84/98/588788498.db2.gz QUJVALVFYDOKAK-SNVBAGLBSA-N 2 0 229.324 -0.857 20 30 BBEDRP C=C(C[NH+](C)C)C(=O)NOCC[NH+](C)C ZINC000854944882 588817644 /nfs/dbraw/zinc/81/76/44/588817644.db2.gz AJVJYFZBISTUBI-UHFFFAOYSA-N 2 0 215.297 -0.286 20 30 BBEDRP C#CC[N@H+](C)CCCNc1nc(N)[nH+]c(N)n1 ZINC000858555676 588965327 /nfs/dbraw/zinc/96/53/27/588965327.db2.gz ODRZHJDGAZUPFC-UHFFFAOYSA-N 2 0 235.295 -0.597 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861634055 589171490 /nfs/dbraw/zinc/17/14/90/589171490.db2.gz CTRNYRPNYYAAIQ-LLVKDONJSA-N 2 0 240.351 -0.070 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861634056 589171472 /nfs/dbraw/zinc/17/14/72/589171472.db2.gz CTRNYRPNYYAAIQ-NSHDSACASA-N 2 0 240.351 -0.070 20 30 BBEDRP C#CC[N@@H+](C)CCCNC(=O)N(CC)CC[NH3+] ZINC000861634344 589171377 /nfs/dbraw/zinc/17/13/77/589171377.db2.gz FWYKLHXQMRKTMT-UHFFFAOYSA-N 2 0 240.351 -0.068 20 30 BBEDRP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863321289 589279856 /nfs/dbraw/zinc/27/98/56/589279856.db2.gz RSNJAYJGYSXENB-LLVKDONJSA-N 2 0 241.335 -0.713 20 30 BBEDRP CC[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[NH+](C)C ZINC000863585388 589302282 /nfs/dbraw/zinc/30/22/82/589302282.db2.gz XKASLSOEAYSIBQ-IVZWLZJFSA-N 2 0 224.308 -0.446 20 30 BBEDRP CC[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)[NH+](C)C ZINC000863585389 589302138 /nfs/dbraw/zinc/30/21/38/589302138.db2.gz XKASLSOEAYSIBQ-KXUCPTDWSA-N 2 0 224.308 -0.446 20 30 BBEDRP CC[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)[NH+](C)C ZINC000863585390 589302018 /nfs/dbraw/zinc/30/20/18/589302018.db2.gz XKASLSOEAYSIBQ-LPEHRKFASA-N 2 0 224.308 -0.446 20 30 BBEDRP CC[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[NH+](C)C ZINC000863585391 589302076 /nfs/dbraw/zinc/30/20/76/589302076.db2.gz XKASLSOEAYSIBQ-OPRDCNLKSA-N 2 0 224.308 -0.446 20 30 BBEDRP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863833540 589322084 /nfs/dbraw/zinc/32/20/84/589322084.db2.gz RSNJAYJGYSXENB-NSHDSACASA-N 2 0 241.335 -0.713 20 30 BBEDRP CNC(NCCC[N@@H+]1CCC[C@H]1C(N)=O)=[NH+]C ZINC000864355466 589355085 /nfs/dbraw/zinc/35/50/85/589355085.db2.gz GJWQLKXJQCGMRN-VIFPVBQESA-N 2 0 241.339 -0.879 20 30 BBEDRP CCNC(NCCN1CC[C@H](O)C1)=[NH+]CC ZINC000864358087 589355405 /nfs/dbraw/zinc/35/54/05/589355405.db2.gz IEQMGLKWFVPZGT-JTQLQIEISA-N 2 0 228.340 -0.372 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870940062 589699244 /nfs/dbraw/zinc/69/92/44/589699244.db2.gz FFNFTZKMMYASNK-PCQVFGIUSA-N 2 0 248.330 -0.254 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870940075 589699178 /nfs/dbraw/zinc/69/91/78/589699178.db2.gz FFNFTZKMMYASNK-QRVCZOOMSA-N 2 0 248.330 -0.254 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870940076 589699318 /nfs/dbraw/zinc/69/93/18/589699318.db2.gz FFNFTZKMMYASNK-ZRZGDYATSA-N 2 0 248.330 -0.254 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870940077 589699150 /nfs/dbraw/zinc/69/91/50/589699150.db2.gz FFNFTZKMMYASNK-ZUXSNHBTSA-N 2 0 248.330 -0.254 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000870940201 589699166 /nfs/dbraw/zinc/69/91/66/589699166.db2.gz GWQPCYDCJMMFAI-GHMZBOCLSA-N 2 0 236.319 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000870940203 589699210 /nfs/dbraw/zinc/69/92/10/589699210.db2.gz GWQPCYDCJMMFAI-MNOVXSKESA-N 2 0 236.319 -0.396 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000870940205 589699225 /nfs/dbraw/zinc/69/92/25/589699225.db2.gz GWQPCYDCJMMFAI-QWRGUYRKSA-N 2 0 236.319 -0.396 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000870940207 589699342 /nfs/dbraw/zinc/69/93/42/589699342.db2.gz GWQPCYDCJMMFAI-WDEREUQCSA-N 2 0 236.319 -0.396 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870940534 589699447 /nfs/dbraw/zinc/69/94/47/589699447.db2.gz KMYTXGLXNJFICE-CHWFTXMASA-N 2 0 236.319 -0.268 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870940535 589699470 /nfs/dbraw/zinc/69/94/70/589699470.db2.gz KMYTXGLXNJFICE-DBIOUOCHSA-N 2 0 236.319 -0.268 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870940536 589699683 /nfs/dbraw/zinc/69/96/83/589699683.db2.gz KMYTXGLXNJFICE-GWOFURMSSA-N 2 0 236.319 -0.268 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870940537 589699693 /nfs/dbraw/zinc/69/96/93/589699693.db2.gz KMYTXGLXNJFICE-MMWGEVLESA-N 2 0 236.319 -0.268 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870940538 589699706 /nfs/dbraw/zinc/69/97/06/589699706.db2.gz KMYTXGLXNJFICE-NAKRPEOUSA-N 2 0 236.319 -0.268 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870940540 589699603 /nfs/dbraw/zinc/69/96/03/589699603.db2.gz KMYTXGLXNJFICE-UKKRHICBSA-N 2 0 236.319 -0.268 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870940542 589699717 /nfs/dbraw/zinc/69/97/17/589699717.db2.gz KMYTXGLXNJFICE-XWLWVQCSSA-N 2 0 236.319 -0.268 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870940544 589699709 /nfs/dbraw/zinc/69/97/09/589699709.db2.gz KMYTXGLXNJFICE-ZNSHCXBVSA-N 2 0 236.319 -0.268 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870941059 589699701 /nfs/dbraw/zinc/69/97/01/589699701.db2.gz PPIVTLNBPRLPAZ-DBIOUOCHSA-N 2 0 236.319 -0.268 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870941060 583932037 /nfs/dbraw/zinc/93/20/37/583932037.db2.gz PPIVTLNBPRLPAZ-GWOFURMSSA-N 2 0 236.319 -0.268 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870941069 583932103 /nfs/dbraw/zinc/93/21/03/583932103.db2.gz PPIVTLNBPRLPAZ-LMLFDSFASA-N 2 0 236.319 -0.268 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870941070 583932177 /nfs/dbraw/zinc/93/21/77/583932177.db2.gz PPIVTLNBPRLPAZ-YTWAJWBKSA-N 2 0 236.319 -0.268 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@]12C[C@@H]1C[C@@H]([NH3+])C2 ZINC000870941094 589699556 /nfs/dbraw/zinc/69/95/56/589699556.db2.gz QFRDBBDROZYIND-DSPMHBFJSA-N 2 0 234.303 -0.658 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@]12C[C@@H]1C[C@@H]([NH3+])C2 ZINC000870941095 589699679 /nfs/dbraw/zinc/69/96/79/589699679.db2.gz QFRDBBDROZYIND-GOVZDWNOSA-N 2 0 234.303 -0.658 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@]12C[C@@H]1C[C@@H]([NH3+])C2 ZINC000870941096 589699599 /nfs/dbraw/zinc/69/95/99/589699599.db2.gz QFRDBBDROZYIND-RACFRTOFSA-N 2 0 234.303 -0.658 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@]12C[C@@H]1C[C@@H]([NH3+])C2 ZINC000870941097 589699727 /nfs/dbraw/zinc/69/97/27/589699727.db2.gz QFRDBBDROZYIND-VEOFNUSFSA-N 2 0 234.303 -0.658 20 30 BBEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC[NH3+] ZINC000876502502 590203706 /nfs/dbraw/zinc/20/37/06/590203706.db2.gz BHJBMXQDTBYOBQ-GFCCVEGCSA-N 2 0 244.298 -0.180 20 30 BBEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC[NH3+] ZINC000876502503 590203600 /nfs/dbraw/zinc/20/36/00/590203600.db2.gz BHJBMXQDTBYOBQ-LBPRGKRZSA-N 2 0 244.298 -0.180 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000876504960 590204165 /nfs/dbraw/zinc/20/41/65/590204165.db2.gz DSQBSZIKFKWWNI-MRVPVSSYSA-N 2 0 217.700 -0.112 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000876504961 590204130 /nfs/dbraw/zinc/20/41/30/590204130.db2.gz DSQBSZIKFKWWNI-QMMMGPOBSA-N 2 0 217.700 -0.112 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH3+] ZINC000876504999 590204116 /nfs/dbraw/zinc/20/41/16/590204116.db2.gz GIVBCXAEWOUNET-SSDOTTSWSA-N 2 0 205.689 -0.079 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH3+] ZINC000876505000 590204472 /nfs/dbraw/zinc/20/44/72/590204472.db2.gz GIVBCXAEWOUNET-ZETCQYMHSA-N 2 0 205.689 -0.079 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000876510228 590205415 /nfs/dbraw/zinc/20/54/15/590205415.db2.gz KXIAJHZJHYCYGA-HTQZYQBOSA-N 2 0 217.700 -0.066 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000876510261 590205709 /nfs/dbraw/zinc/20/57/09/590205709.db2.gz KXIAJHZJHYCYGA-JGVFFNPUSA-N 2 0 217.700 -0.066 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000876510262 590205766 /nfs/dbraw/zinc/20/57/66/590205766.db2.gz KXIAJHZJHYCYGA-SFYZADRCSA-N 2 0 217.700 -0.066 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000876510264 590205214 /nfs/dbraw/zinc/20/52/14/590205214.db2.gz KXIAJHZJHYCYGA-YUMQZZPRSA-N 2 0 217.700 -0.066 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[NH2+]C ZINC000876519875 590206933 /nfs/dbraw/zinc/20/69/33/590206933.db2.gz BPTSLEJVAXJSKC-SSDOTTSWSA-N 2 0 205.689 -0.208 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH2+]C ZINC000876519876 590206798 /nfs/dbraw/zinc/20/67/98/590206798.db2.gz BPTSLEJVAXJSKC-ZETCQYMHSA-N 2 0 205.689 -0.208 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[NH2+]CCOC ZINC000876792034 590241911 /nfs/dbraw/zinc/24/19/11/590241911.db2.gz RTTKNVFNLKCUFY-SECBINFHSA-N 2 0 249.742 -0.192 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH2+]CCOC ZINC000876792036 590242199 /nfs/dbraw/zinc/24/21/99/590242199.db2.gz RTTKNVFNLKCUFY-VIFPVBQESA-N 2 0 249.742 -0.192 20 30 BBEDRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801449 590243110 /nfs/dbraw/zinc/24/31/10/590243110.db2.gz CPUODAGGQLIQPZ-DOLQZWNJSA-N 2 0 236.319 -0.412 20 30 BBEDRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801450 590243320 /nfs/dbraw/zinc/24/33/20/590243320.db2.gz CPUODAGGQLIQPZ-QCLAVDOMSA-N 2 0 236.319 -0.412 20 30 BBEDRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801451 590243035 /nfs/dbraw/zinc/24/30/35/590243035.db2.gz CPUODAGGQLIQPZ-SGIHWFKDSA-N 2 0 236.319 -0.412 20 30 BBEDRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801452 590243161 /nfs/dbraw/zinc/24/31/61/590243161.db2.gz CPUODAGGQLIQPZ-ZYUZMQFOSA-N 2 0 236.319 -0.412 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876801495 590243228 /nfs/dbraw/zinc/24/32/28/590243228.db2.gz DKBSTFZPSSAZRA-KQXIARHKSA-N 2 0 248.330 -0.254 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876801496 590243490 /nfs/dbraw/zinc/24/34/90/590243490.db2.gz DKBSTFZPSSAZRA-UZWSLXQKSA-N 2 0 248.330 -0.254 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876801497 590243224 /nfs/dbraw/zinc/24/32/24/590243224.db2.gz DKBSTFZPSSAZRA-WGBDABJCSA-N 2 0 248.330 -0.254 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876801498 590243142 /nfs/dbraw/zinc/24/31/42/590243142.db2.gz DKBSTFZPSSAZRA-XZUYRWCXSA-N 2 0 248.330 -0.254 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000876801647 590243400 /nfs/dbraw/zinc/24/34/00/590243400.db2.gz HBRAKKYCWLAXBR-BBBLOLIVSA-N 2 0 220.276 -0.738 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000876801648 590243279 /nfs/dbraw/zinc/24/32/79/590243279.db2.gz HBRAKKYCWLAXBR-KXUCPTDWSA-N 2 0 220.276 -0.738 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000876801649 590243498 /nfs/dbraw/zinc/24/34/98/590243498.db2.gz HBRAKKYCWLAXBR-OPRDCNLKSA-N 2 0 220.276 -0.738 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000876801650 584887195 /nfs/dbraw/zinc/88/71/95/584887195.db2.gz HBRAKKYCWLAXBR-UTLUCORTSA-N 2 0 220.276 -0.738 20 30 BBEDRP C[C@@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CCC[NH2+]1 ZINC000876802275 590243240 /nfs/dbraw/zinc/24/32/40/590243240.db2.gz NPSGXGWHMQZCEI-KKZNHRDASA-N 2 0 222.292 -0.644 20 30 BBEDRP C[C@@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CCC[NH2+]1 ZINC000876802278 590243272 /nfs/dbraw/zinc/24/32/72/590243272.db2.gz NPSGXGWHMQZCEI-NGZCFLSTSA-N 2 0 222.292 -0.644 20 30 BBEDRP C[C@@]1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CCC[NH2+]1 ZINC000876802281 590243140 /nfs/dbraw/zinc/24/31/40/590243140.db2.gz NPSGXGWHMQZCEI-QXEWZRGKSA-N 2 0 222.292 -0.644 20 30 BBEDRP C[C@@]1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCC[NH2+]1 ZINC000876802283 590243356 /nfs/dbraw/zinc/24/33/56/590243356.db2.gz NPSGXGWHMQZCEI-YWVKMMECSA-N 2 0 222.292 -0.644 20 30 BBEDRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876802414 590243640 /nfs/dbraw/zinc/24/36/40/590243640.db2.gz ODSJUDPSAUNUMX-AXFHLTTASA-N 2 0 236.319 -0.302 20 30 BBEDRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876802415 590243811 /nfs/dbraw/zinc/24/38/11/590243811.db2.gz ODSJUDPSAUNUMX-DCAQKATOSA-N 2 0 236.319 -0.302 20 30 BBEDRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876802416 590243713 /nfs/dbraw/zinc/24/37/13/590243713.db2.gz ODSJUDPSAUNUMX-MXWKQRLJSA-N 2 0 236.319 -0.302 20 30 BBEDRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876802417 590243790 /nfs/dbraw/zinc/24/37/90/590243790.db2.gz ODSJUDPSAUNUMX-VWYCJHECSA-N 2 0 236.319 -0.302 20 30 BBEDRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876802435 590244072 /nfs/dbraw/zinc/24/40/72/590244072.db2.gz OLDAPXBFRPMZOJ-CEJFKWHISA-N 2 0 248.330 -0.374 20 30 BBEDRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876802436 590244028 /nfs/dbraw/zinc/24/40/28/590244028.db2.gz OLDAPXBFRPMZOJ-CRNIGPMISA-N 2 0 248.330 -0.374 20 30 BBEDRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876802437 590243684 /nfs/dbraw/zinc/24/36/84/590243684.db2.gz OLDAPXBFRPMZOJ-LUPHZKRLSA-N 2 0 248.330 -0.374 20 30 BBEDRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876802438 590244104 /nfs/dbraw/zinc/24/41/04/590244104.db2.gz OLDAPXBFRPMZOJ-OQGFSKKLSA-N 2 0 248.330 -0.374 20 30 BBEDRP C[NH+](C)CC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000876802834 590243998 /nfs/dbraw/zinc/24/39/98/590243998.db2.gz SRNJGZXSLPVGSM-NXEZZACHSA-N 2 0 236.319 -0.444 20 30 BBEDRP C[NH+](C)CC1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000876802835 584887309 /nfs/dbraw/zinc/88/73/09/584887309.db2.gz SRNJGZXSLPVGSM-UWVGGRQHSA-N 2 0 236.319 -0.444 20 30 BBEDRP C[NH+](C)CC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000876802839 584887146 /nfs/dbraw/zinc/88/71/46/584887146.db2.gz SRNJGZXSLPVGSM-VHSXEESVSA-N 2 0 236.319 -0.444 20 30 BBEDRP C[NH+](C)CC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000876802842 584887321 /nfs/dbraw/zinc/88/73/21/584887321.db2.gz SRNJGZXSLPVGSM-ZJUUUORDSA-N 2 0 236.319 -0.444 20 30 BBEDRP C[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)[NH+](C)C ZINC000876802849 584887163 /nfs/dbraw/zinc/88/71/63/584887163.db2.gz SRWBTRDIGWKKEB-HLTSFMKQSA-N 2 0 210.281 -0.836 20 30 BBEDRP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[NH+](C)C ZINC000876802860 584887202 /nfs/dbraw/zinc/88/72/02/584887202.db2.gz SRWBTRDIGWKKEB-HRDYMLBCSA-N 2 0 210.281 -0.836 20 30 BBEDRP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[NH+](C)C ZINC000876802866 584887069 /nfs/dbraw/zinc/88/70/69/584887069.db2.gz SRWBTRDIGWKKEB-IWSPIJDZSA-N 2 0 210.281 -0.836 20 30 BBEDRP C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)[NH+](C)C ZINC000876802884 584887174 /nfs/dbraw/zinc/88/71/74/584887174.db2.gz SRWBTRDIGWKKEB-VGMNWLOBSA-N 2 0 210.281 -0.836 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876803010 590244100 /nfs/dbraw/zinc/24/41/00/590244100.db2.gz UCVHIIAFTPLDJE-LAXGUNSLSA-N 2 0 248.330 -0.230 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876803011 590244086 /nfs/dbraw/zinc/24/40/86/590244086.db2.gz UCVHIIAFTPLDJE-MZBUWZLFSA-N 2 0 248.330 -0.230 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876803012 590244077 /nfs/dbraw/zinc/24/40/77/590244077.db2.gz UCVHIIAFTPLDJE-SPXIEQKPSA-N 2 0 248.330 -0.230 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876803013 590243590 /nfs/dbraw/zinc/24/35/90/590243590.db2.gz UCVHIIAFTPLDJE-YCBKHBRVSA-N 2 0 248.330 -0.230 20 30 BBEDRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876803540 590243669 /nfs/dbraw/zinc/24/36/69/590243669.db2.gz WUSMPZKQLKTDHJ-DCAQKATOSA-N 2 0 238.335 -0.022 20 30 BBEDRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876803541 590243904 /nfs/dbraw/zinc/24/39/04/590243904.db2.gz WUSMPZKQLKTDHJ-GARJFASQSA-N 2 0 238.335 -0.022 20 30 BBEDRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876803542 590243692 /nfs/dbraw/zinc/24/36/92/590243692.db2.gz WUSMPZKQLKTDHJ-OUAUKWLOSA-N 2 0 238.335 -0.022 20 30 BBEDRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876803543 590243733 /nfs/dbraw/zinc/24/37/33/590243733.db2.gz WUSMPZKQLKTDHJ-VWYCJHECSA-N 2 0 238.335 -0.022 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1[C@@H](C[NH3+])C1(F)F ZINC000876803582 590244131 /nfs/dbraw/zinc/24/41/31/590244131.db2.gz XEIWDIUAQBNJCJ-FKSUSPILSA-N 2 0 244.245 -0.946 20 30 BBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1[C@@H](C[NH3+])C1(F)F ZINC000876803583 590243894 /nfs/dbraw/zinc/24/38/94/590243894.db2.gz XEIWDIUAQBNJCJ-LXGUWJNJSA-N 2 0 244.245 -0.946 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1[C@@H](C[NH3+])C1(F)F ZINC000876803584 590243655 /nfs/dbraw/zinc/24/36/55/590243655.db2.gz XEIWDIUAQBNJCJ-OOJXKGFFSA-N 2 0 244.245 -0.946 20 30 BBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1[C@@H](C[NH3+])C1(F)F ZINC000876803585 590243825 /nfs/dbraw/zinc/24/38/25/590243825.db2.gz XEIWDIUAQBNJCJ-WCTZXXKLSA-N 2 0 244.245 -0.946 20 30 BBEDRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C1 ZINC000876803635 590243963 /nfs/dbraw/zinc/24/39/63/590243963.db2.gz XSEIGKCWDYDRIP-GMTAPVOTSA-N 2 0 236.319 -0.444 20 30 BBEDRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C1 ZINC000876803636 590244147 /nfs/dbraw/zinc/24/41/47/590244147.db2.gz XSEIGKCWDYDRIP-MXWKQRLJSA-N 2 0 236.319 -0.444 20 30 BBEDRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000876803637 590243736 /nfs/dbraw/zinc/24/37/36/590243736.db2.gz XSEIGKCWDYDRIP-OUAUKWLOSA-N 2 0 236.319 -0.444 20 30 BBEDRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000876803638 590243740 /nfs/dbraw/zinc/24/37/40/590243740.db2.gz XSEIGKCWDYDRIP-VWYCJHECSA-N 2 0 236.319 -0.444 20 30 BBEDRP CC[NH2+][C@H](C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876803643 590243682 /nfs/dbraw/zinc/24/36/82/590243682.db2.gz XTMMRAOVOAEMIU-HLTSFMKQSA-N 2 0 210.281 -0.788 20 30 BBEDRP CC[NH2+][C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876803644 590243686 /nfs/dbraw/zinc/24/36/86/590243686.db2.gz XTMMRAOVOAEMIU-HRDYMLBCSA-N 2 0 210.281 -0.788 20 30 BBEDRP CC[NH2+][C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876803826 590243723 /nfs/dbraw/zinc/24/37/23/590243723.db2.gz XTMMRAOVOAEMIU-IWSPIJDZSA-N 2 0 210.281 -0.788 20 30 BBEDRP CC[NH2+][C@H](C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876803829 590244143 /nfs/dbraw/zinc/24/41/43/590244143.db2.gz XTMMRAOVOAEMIU-VGMNWLOBSA-N 2 0 210.281 -0.788 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876803945 590244260 /nfs/dbraw/zinc/24/42/60/590244260.db2.gz ZVFGWCBTNGIUQB-CIUDSAMLSA-N 2 0 242.710 -0.316 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876803946 590244296 /nfs/dbraw/zinc/24/42/96/590244296.db2.gz ZVFGWCBTNGIUQB-HRDYMLBCSA-N 2 0 242.710 -0.316 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876803947 590244631 /nfs/dbraw/zinc/24/46/31/590244631.db2.gz ZVFGWCBTNGIUQB-VGMNWLOBSA-N 2 0 242.710 -0.316 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876803948 590244275 /nfs/dbraw/zinc/24/42/75/590244275.db2.gz ZVFGWCBTNGIUQB-XHNCKOQMSA-N 2 0 242.710 -0.316 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C[NH3+] ZINC000876806985 590244972 /nfs/dbraw/zinc/24/49/72/590244972.db2.gz WVZHZILBNNDATF-RNFRBKRXSA-N 2 0 205.689 -0.080 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C[NH3+] ZINC000876806986 590244906 /nfs/dbraw/zinc/24/49/06/590244906.db2.gz WVZHZILBNNDATF-RQJHMYQMSA-N 2 0 205.689 -0.080 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000876807713 590244890 /nfs/dbraw/zinc/24/48/90/590244890.db2.gz IXSVBBZXOSFUAG-BDAKNGLRSA-N 2 0 247.726 -0.358 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000876807714 590242448 /nfs/dbraw/zinc/24/24/48/590242448.db2.gz IXSVBBZXOSFUAG-DTWKUNHWSA-N 2 0 247.726 -0.358 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000876807715 590242717 /nfs/dbraw/zinc/24/27/17/590242717.db2.gz IXSVBBZXOSFUAG-IUCAKERBSA-N 2 0 247.726 -0.358 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000876807716 590242778 /nfs/dbraw/zinc/24/27/78/590242778.db2.gz IXSVBBZXOSFUAG-RKDXNWHRSA-N 2 0 247.726 -0.358 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C[NH3+] ZINC000876829982 590247139 /nfs/dbraw/zinc/24/71/39/590247139.db2.gz WVZHZILBNNDATF-BQBZGAKWSA-N 2 0 205.689 -0.080 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH3+] ZINC000876829983 590247195 /nfs/dbraw/zinc/24/71/95/590247195.db2.gz WVZHZILBNNDATF-NKWVEPMBSA-N 2 0 205.689 -0.080 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[NH3+] ZINC000876836200 590247883 /nfs/dbraw/zinc/24/78/83/590247883.db2.gz QDPQJTHSVKCUHU-BQBZGAKWSA-N 2 0 205.689 -0.080 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)[NH3+] ZINC000876836201 590248033 /nfs/dbraw/zinc/24/80/33/590248033.db2.gz QDPQJTHSVKCUHU-NKWVEPMBSA-N 2 0 205.689 -0.080 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH3+] ZINC000876836202 590245411 /nfs/dbraw/zinc/24/54/11/590245411.db2.gz QDPQJTHSVKCUHU-RNFRBKRXSA-N 2 0 205.689 -0.080 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[NH3+] ZINC000876836203 590245508 /nfs/dbraw/zinc/24/55/08/590245508.db2.gz QDPQJTHSVKCUHU-RQJHMYQMSA-N 2 0 205.689 -0.080 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000876858373 590250585 /nfs/dbraw/zinc/25/05/85/590250585.db2.gz CSVXYGKZQBSEQF-UYXSQOIJSA-N 2 0 229.711 -0.210 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000876858374 590250651 /nfs/dbraw/zinc/25/06/51/590250651.db2.gz CSVXYGKZQBSEQF-XAVMHZPKSA-N 2 0 229.711 -0.210 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000876917330 590256888 /nfs/dbraw/zinc/25/68/88/590256888.db2.gz RCOROFXRFJGXFE-BDAKNGLRSA-N 2 0 247.726 -0.439 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000876917332 590256684 /nfs/dbraw/zinc/25/66/84/590256684.db2.gz RCOROFXRFJGXFE-DTWKUNHWSA-N 2 0 247.726 -0.439 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000876917334 590256840 /nfs/dbraw/zinc/25/68/40/590256840.db2.gz RCOROFXRFJGXFE-IUCAKERBSA-N 2 0 247.726 -0.439 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000876917336 590256845 /nfs/dbraw/zinc/25/68/45/590256845.db2.gz RCOROFXRFJGXFE-RKDXNWHRSA-N 2 0 247.726 -0.439 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC[NH3+] ZINC000876919485 590257476 /nfs/dbraw/zinc/25/74/76/590257476.db2.gz VGILKAHJKFOQIN-SSDOTTSWSA-N 2 0 205.689 -0.127 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC[NH3+] ZINC000876919486 590257295 /nfs/dbraw/zinc/25/72/95/590257295.db2.gz VGILKAHJKFOQIN-ZETCQYMHSA-N 2 0 205.689 -0.127 20 30 BBEDRP CCN(CC[NH3+])C(=O)C#CC1CC[NH2+]CC1 ZINC000877007014 590268362 /nfs/dbraw/zinc/26/83/62/590268362.db2.gz ZXBDCSYTXGQFLV-UHFFFAOYSA-N 2 0 223.320 -0.203 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCOCC[NH2+]C ZINC000877024264 590270490 /nfs/dbraw/zinc/27/04/90/590270490.db2.gz XJISUPUKIBBCRT-SECBINFHSA-N 2 0 249.742 -0.192 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCOCC[NH2+]C ZINC000877024265 590270581 /nfs/dbraw/zinc/27/05/81/590270581.db2.gz XJISUPUKIBBCRT-VIFPVBQESA-N 2 0 249.742 -0.192 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCOCCC[NH3+] ZINC000877053058 590275260 /nfs/dbraw/zinc/27/52/60/590275260.db2.gz BGTKQMBAQYJSCB-SECBINFHSA-N 2 0 249.742 -0.062 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCOCCC[NH3+] ZINC000877053059 590275266 /nfs/dbraw/zinc/27/52/66/590275266.db2.gz BGTKQMBAQYJSCB-VIFPVBQESA-N 2 0 249.742 -0.062 20 30 BBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000877057190 590275814 /nfs/dbraw/zinc/27/58/14/590275814.db2.gz XCRYTTLASDZVNF-SECBINFHSA-N 2 0 249.742 -0.110 20 30 BBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000877057191 590275878 /nfs/dbraw/zinc/27/58/78/590275878.db2.gz XCRYTTLASDZVNF-VIFPVBQESA-N 2 0 249.742 -0.110 20 30 BBEDRP C[C@H]([NH3+])CN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000877104066 590284085 /nfs/dbraw/zinc/28/40/85/590284085.db2.gz AXWKBGDTLKRNNF-JTQLQIEISA-N 2 0 223.320 -0.205 20 30 BBEDRP C[C@@H]([NH3+])CN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000877104067 590284194 /nfs/dbraw/zinc/28/41/94/590284194.db2.gz AXWKBGDTLKRNNF-SNVBAGLBSA-N 2 0 223.320 -0.205 20 30 BBEDRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000877109723 590286825 /nfs/dbraw/zinc/28/68/25/590286825.db2.gz RDQMYVAKAWUZGU-CMPLNLGQSA-N 2 0 235.331 -0.144 20 30 BBEDRP O=C(C#CC1CC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168933 584891351 /nfs/dbraw/zinc/89/13/51/584891351.db2.gz ZQGUDEOCYSVBGM-RYUDHWBXSA-N 2 0 233.315 -0.438 20 30 BBEDRP O=C(C#CC1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877171569 590296316 /nfs/dbraw/zinc/29/63/16/590296316.db2.gz BAKNULCEZWETNT-BETUJISGSA-N 2 0 247.342 -0.048 20 30 BBEDRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C#CC1CC[NH2+]CC1 ZINC000877171904 584891347 /nfs/dbraw/zinc/89/13/47/584891347.db2.gz MBHUEZRZMSFHTL-CMPLNLGQSA-N 2 0 235.331 -0.063 20 30 BBEDRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C#CC1CC[NH2+]CC1 ZINC000877171909 584891378 /nfs/dbraw/zinc/89/13/78/584891378.db2.gz MBHUEZRZMSFHTL-JQWIXIFHSA-N 2 0 235.331 -0.063 20 30 BBEDRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C#CC1CC[NH2+]CC1 ZINC000877171911 584891355 /nfs/dbraw/zinc/89/13/55/584891355.db2.gz MBHUEZRZMSFHTL-PWSUYJOCSA-N 2 0 235.331 -0.063 20 30 BBEDRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C#CC1CC[NH2+]CC1 ZINC000877171912 584891189 /nfs/dbraw/zinc/89/11/89/584891189.db2.gz MBHUEZRZMSFHTL-ZYHUDNBSSA-N 2 0 235.331 -0.063 20 30 BBEDRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000884249445 591882997 /nfs/dbraw/zinc/88/29/97/591882997.db2.gz LYZYWSRQWCDIIW-OPRDCNLKSA-N 2 0 236.319 -0.540 20 30 BBEDRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000884249809 591884157 /nfs/dbraw/zinc/88/41/57/591884157.db2.gz RTSBEPFVNBPBEX-OUAUKWLOSA-N 2 0 238.335 -0.152 20 30 BBEDRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000884249810 591884214 /nfs/dbraw/zinc/88/42/14/591884214.db2.gz RTSBEPFVNBPBEX-VWYCJHECSA-N 2 0 238.335 -0.152 20 30 BBEDRP C#CCN1CCC[C@H](NC(NC)=[NH+]C)C1 ZINC000887323844 592481068 /nfs/dbraw/zinc/48/10/68/592481068.db2.gz JLJNYGMTYDAIJJ-JTQLQIEISA-N 2 0 208.309 -0.121 20 30 BBEDRP C#CCN1CCC[C@@H](NC(NC)=[NH+]C)C1 ZINC000887323845 592480765 /nfs/dbraw/zinc/48/07/65/592480765.db2.gz JLJNYGMTYDAIJJ-SNVBAGLBSA-N 2 0 208.309 -0.121 20 30 BBEDRP CCNC(NCCN(C)CCO)=[NH+]CC ZINC000887324256 592480614 /nfs/dbraw/zinc/48/06/14/592480614.db2.gz XCCNBLQHGRPWDZ-UHFFFAOYSA-N 2 0 216.329 -0.515 20 30 BBEDRP CCO[C@H](CNC(NC)=[NH+]C)C[NH+](C)C ZINC000899262755 584190623 /nfs/dbraw/zinc/19/06/23/584190623.db2.gz POYJDGLBYQGTQH-SECBINFHSA-N 2 0 216.329 -0.252 20 30 BBEDRP CCO[C@@H](CNC(NC)=[NH+]C)C[NH+](C)C ZINC000899262757 584190579 /nfs/dbraw/zinc/19/05/79/584190579.db2.gz POYJDGLBYQGTQH-VIFPVBQESA-N 2 0 216.329 -0.252 20 30 BBEDRP C#CC[NH+]1CCC(NC(NC)=[NH+]C)CC1 ZINC000905032483 637553164 /nfs/dbraw/zinc/55/31/64/637553164.db2.gz MYUXELMURQAQFN-UHFFFAOYSA-N 2 0 208.309 -0.121 20 30 BBEDRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000906091725 638047555 /nfs/dbraw/zinc/04/75/55/638047555.db2.gz NEWKDUOEIICMSC-AEJSXWLSSA-N 2 0 224.308 -0.412 20 30 BBEDRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000906091726 638048318 /nfs/dbraw/zinc/04/83/18/638048318.db2.gz NEWKDUOEIICMSC-BBBLOLIVSA-N 2 0 224.308 -0.412 20 30 BBEDRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000906091727 638050040 /nfs/dbraw/zinc/05/00/40/638050040.db2.gz NEWKDUOEIICMSC-IVZWLZJFSA-N 2 0 224.308 -0.412 20 30 BBEDRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000906091728 638048246 /nfs/dbraw/zinc/04/82/46/638048246.db2.gz NEWKDUOEIICMSC-OPRDCNLKSA-N 2 0 224.308 -0.412 20 30 BBEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000908202791 638610811 /nfs/dbraw/zinc/61/08/11/638610811.db2.gz XDUFSBIHOFAFMJ-LLVKDONJSA-N 2 0 243.351 -0.467 20 30 BBEDRP C=C(CC[NH+](C)C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000908202793 638608986 /nfs/dbraw/zinc/60/89/86/638608986.db2.gz XDUFSBIHOFAFMJ-NSHDSACASA-N 2 0 243.351 -0.467 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000911634265 711819290 /nfs/dbraw/zinc/81/92/90/711819290.db2.gz LZYFKSSEGSIKRV-LLVKDONJSA-N 2 0 223.320 -0.333 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000911634267 711819189 /nfs/dbraw/zinc/81/91/89/711819189.db2.gz LZYFKSSEGSIKRV-NSHDSACASA-N 2 0 223.320 -0.333 20 30 BBEDRP C#CC[NH2+]CC(=O)NCC1([NH3+])CCCCC1 ZINC000911647316 639701452 /nfs/dbraw/zinc/70/14/52/639701452.db2.gz ZTZVIDHZPNWUQU-UHFFFAOYSA-N 2 0 223.320 -0.013 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC(C[NH3+])CC1 ZINC000911669736 639696791 /nfs/dbraw/zinc/69/67/91/639696791.db2.gz CQUBBUFLFPCUJQ-UHFFFAOYSA-N 2 0 209.293 -0.594 20 30 BBEDRP C#CC[NH2+]CC(=O)NCC1CC[NH2+]CC1 ZINC000911672797 639699265 /nfs/dbraw/zinc/69/92/65/639699265.db2.gz NPIGHMNUSYNBSI-UHFFFAOYSA-N 2 0 209.293 -0.675 20 30 BBEDRP C#CC[NH2+]CC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000911675673 639717643 /nfs/dbraw/zinc/71/76/43/639717643.db2.gz AXNKRUSWUNUCGV-UHFFFAOYSA-N 2 0 235.331 -0.048 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000911686426 639725539 /nfs/dbraw/zinc/72/55/39/639725539.db2.gz ZVZRRXWEFVUARN-GHMZBOCLSA-N 2 0 223.320 -0.063 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000911686427 639723612 /nfs/dbraw/zinc/72/36/12/639723612.db2.gz ZVZRRXWEFVUARN-MNOVXSKESA-N 2 0 223.320 -0.063 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000911686428 639726515 /nfs/dbraw/zinc/72/65/15/639726515.db2.gz ZVZRRXWEFVUARN-QWRGUYRKSA-N 2 0 223.320 -0.063 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000911686429 639724358 /nfs/dbraw/zinc/72/43/58/639724358.db2.gz ZVZRRXWEFVUARN-WDEREUQCSA-N 2 0 223.320 -0.063 20 30 BBEDRP C#CC[NH2+]CC(=O)N(C)C1CC[NH2+]CC1 ZINC000911692222 639727641 /nfs/dbraw/zinc/72/76/41/639727641.db2.gz NAFOJIOSIQWMAU-UHFFFAOYSA-N 2 0 209.293 -0.580 20 30 BBEDRP C#CC[NH2+]CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911703633 639758286 /nfs/dbraw/zinc/75/82/86/639758286.db2.gz IDFGHSLAFCBIQX-JTQLQIEISA-N 2 0 209.293 -0.675 20 30 BBEDRP C#CC[NH2+]CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911703634 639758449 /nfs/dbraw/zinc/75/84/49/639758449.db2.gz IDFGHSLAFCBIQX-SNVBAGLBSA-N 2 0 209.293 -0.675 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911707394 639760989 /nfs/dbraw/zinc/76/09/89/639760989.db2.gz NSLBJDKKZNYJFT-JTQLQIEISA-N 2 0 209.293 -0.594 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911707395 639760315 /nfs/dbraw/zinc/76/03/15/639760315.db2.gz NSLBJDKKZNYJFT-SNVBAGLBSA-N 2 0 209.293 -0.594 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000911713422 639740455 /nfs/dbraw/zinc/74/04/55/639740455.db2.gz HOVYLKSPWMJMKK-JTQLQIEISA-N 2 0 209.293 -0.451 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911713423 639739566 /nfs/dbraw/zinc/73/95/66/639739566.db2.gz HOVYLKSPWMJMKK-SNVBAGLBSA-N 2 0 209.293 -0.451 20 30 BBEDRP C#CC[NH2+]CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911714616 639741530 /nfs/dbraw/zinc/74/15/30/639741530.db2.gz RELFRUMJNREJPA-JTQLQIEISA-N 2 0 209.293 -0.533 20 30 BBEDRP C#CC[NH2+]CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911714617 639741143 /nfs/dbraw/zinc/74/11/43/639741143.db2.gz RELFRUMJNREJPA-SNVBAGLBSA-N 2 0 209.293 -0.533 20 30 BBEDRP C#CC[NH2+]CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911720394 639743964 /nfs/dbraw/zinc/74/39/64/639743964.db2.gz QFAANPGGAYDQET-GHMZBOCLSA-N 2 0 223.320 -0.287 20 30 BBEDRP C#CC[NH2+]CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000911720395 639743004 /nfs/dbraw/zinc/74/30/04/639743004.db2.gz QFAANPGGAYDQET-MNOVXSKESA-N 2 0 223.320 -0.287 20 30 BBEDRP C#CC[NH2+]CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000911720396 639742365 /nfs/dbraw/zinc/74/23/65/639742365.db2.gz QFAANPGGAYDQET-QWRGUYRKSA-N 2 0 223.320 -0.287 20 30 BBEDRP C#CC[NH2+]CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911720397 639743426 /nfs/dbraw/zinc/74/34/26/639743426.db2.gz QFAANPGGAYDQET-WDEREUQCSA-N 2 0 223.320 -0.287 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000911737833 639764066 /nfs/dbraw/zinc/76/40/66/639764066.db2.gz ZPZBWARVGBBJSF-JTQLQIEISA-N 2 0 209.293 -0.580 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000911737834 639764692 /nfs/dbraw/zinc/76/46/92/639764692.db2.gz ZPZBWARVGBBJSF-SNVBAGLBSA-N 2 0 209.293 -0.580 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000911754683 639784009 /nfs/dbraw/zinc/78/40/09/639784009.db2.gz WLXPJNDEGDUCJZ-JTQLQIEISA-N 2 0 223.320 -0.205 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000911754684 639783963 /nfs/dbraw/zinc/78/39/63/639783963.db2.gz WLXPJNDEGDUCJZ-SNVBAGLBSA-N 2 0 223.320 -0.205 20 30 BBEDRP C#CC[NH2+]CC(=O)NCCC[NH2+]C(C)C ZINC000911762421 639789645 /nfs/dbraw/zinc/78/96/45/639789645.db2.gz ADDONTWCBOXXCK-UHFFFAOYSA-N 2 0 211.309 -0.287 20 30 BBEDRP C#CC[NH2+]CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911767624 639793021 /nfs/dbraw/zinc/79/30/21/639793021.db2.gz LZAVLVMLYQBOEA-JTQLQIEISA-N 2 0 209.293 -0.675 20 30 BBEDRP C#CC[NH2+]CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911767626 639794282 /nfs/dbraw/zinc/79/42/82/639794282.db2.gz LZAVLVMLYQBOEA-SNVBAGLBSA-N 2 0 209.293 -0.675 20 30 BBEDRP C#CC[NH2+]CC(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000911768034 639793160 /nfs/dbraw/zinc/79/31/60/639793160.db2.gz NJHHLZFWMMFKCW-LLVKDONJSA-N 2 0 223.320 -0.190 20 30 BBEDRP C#CC[NH2+]CC(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000911768035 639794487 /nfs/dbraw/zinc/79/44/87/639794487.db2.gz NJHHLZFWMMFKCW-NSHDSACASA-N 2 0 223.320 -0.190 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC(C[NH2+]C)CC1 ZINC000911778227 639797810 /nfs/dbraw/zinc/79/78/10/639797810.db2.gz OOZHZMSMAUBSLX-UHFFFAOYSA-N 2 0 223.320 -0.333 20 30 BBEDRP C#CC[NH2+]CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000911795088 639819569 /nfs/dbraw/zinc/81/95/69/639819569.db2.gz IDUWBKNCDDHYFD-AOOOYVTPSA-N 2 0 209.293 -0.582 20 30 BBEDRP C#CC[NH2+]CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000911795089 639818683 /nfs/dbraw/zinc/81/86/83/639818683.db2.gz IDUWBKNCDDHYFD-NXEZZACHSA-N 2 0 209.293 -0.582 20 30 BBEDRP C#CC[NH2+]CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000911795090 639818518 /nfs/dbraw/zinc/81/85/18/639818518.db2.gz IDUWBKNCDDHYFD-UWVGGRQHSA-N 2 0 209.293 -0.582 20 30 BBEDRP C#CC[NH2+]CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911798927 639820359 /nfs/dbraw/zinc/82/03/59/639820359.db2.gz AULPDFAAZKDZMP-LLVKDONJSA-N 2 0 209.293 -0.547 20 30 BBEDRP C#CC[NH2+]CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911798928 639821330 /nfs/dbraw/zinc/82/13/30/639821330.db2.gz AULPDFAAZKDZMP-NSHDSACASA-N 2 0 209.293 -0.547 20 30 BBEDRP C#CC[NH2+]CC(=O)NC(CC)(CC)C[NH3+] ZINC000911798936 639821168 /nfs/dbraw/zinc/82/11/68/639821168.db2.gz BAZAFVRKYJMCEL-UHFFFAOYSA-N 2 0 211.309 -0.157 20 30 BBEDRP C#CC[NH2+]CC(=O)NC1(C[NH3+])CCCC1 ZINC000911799965 639822204 /nfs/dbraw/zinc/82/22/04/639822204.db2.gz MONCHPQYGSLFEL-UHFFFAOYSA-N 2 0 209.293 -0.403 20 30 BBEDRP C#CC[NH2+]CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000911814996 639804223 /nfs/dbraw/zinc/80/42/23/639804223.db2.gz WRQSOFVHVJWREK-JTQLQIEISA-N 2 0 211.309 -0.301 20 30 BBEDRP C#CC[NH2+]CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000911814997 639803841 /nfs/dbraw/zinc/80/38/41/639803841.db2.gz WRQSOFVHVJWREK-SNVBAGLBSA-N 2 0 211.309 -0.301 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000911817632 639850320 /nfs/dbraw/zinc/85/03/20/639850320.db2.gz IMQRMPNGVIQMOZ-NXEZZACHSA-N 2 0 209.293 -0.595 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000911817633 639849790 /nfs/dbraw/zinc/84/97/90/639849790.db2.gz IMQRMPNGVIQMOZ-UWVGGRQHSA-N 2 0 209.293 -0.595 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000911817634 639849657 /nfs/dbraw/zinc/84/96/57/639849657.db2.gz IMQRMPNGVIQMOZ-VHSXEESVSA-N 2 0 209.293 -0.595 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000911817635 639850375 /nfs/dbraw/zinc/85/03/75/639850375.db2.gz IMQRMPNGVIQMOZ-ZJUUUORDSA-N 2 0 209.293 -0.595 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000911818933 639836552 /nfs/dbraw/zinc/83/65/52/639836552.db2.gz BMOZNYNTRXHBMI-GHMZBOCLSA-N 2 0 223.320 -0.205 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000911818934 639836603 /nfs/dbraw/zinc/83/66/03/639836603.db2.gz BMOZNYNTRXHBMI-MNOVXSKESA-N 2 0 223.320 -0.205 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000911818935 639835925 /nfs/dbraw/zinc/83/59/25/639835925.db2.gz BMOZNYNTRXHBMI-QWRGUYRKSA-N 2 0 223.320 -0.205 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000911818936 639835588 /nfs/dbraw/zinc/83/55/88/639835588.db2.gz BMOZNYNTRXHBMI-WDEREUQCSA-N 2 0 223.320 -0.205 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000911827477 639839609 /nfs/dbraw/zinc/83/96/09/639839609.db2.gz VJHFOPUOGBMAEU-GHMZBOCLSA-N 2 0 223.320 -0.205 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000911827478 639839114 /nfs/dbraw/zinc/83/91/14/639839114.db2.gz VJHFOPUOGBMAEU-MNOVXSKESA-N 2 0 223.320 -0.205 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000911827479 639839876 /nfs/dbraw/zinc/83/98/76/639839876.db2.gz VJHFOPUOGBMAEU-QWRGUYRKSA-N 2 0 223.320 -0.205 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000911827480 639839499 /nfs/dbraw/zinc/83/94/99/639839499.db2.gz VJHFOPUOGBMAEU-WDEREUQCSA-N 2 0 223.320 -0.205 20 30 BBEDRP C#CC[NH2+]CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000911837843 639849099 /nfs/dbraw/zinc/84/90/99/639849099.db2.gz WXQYVGIGOXJCCL-LLVKDONJSA-N 2 0 211.309 -0.301 20 30 BBEDRP C#CC[NH2+]CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000911837844 639849046 /nfs/dbraw/zinc/84/90/46/639849046.db2.gz WXQYVGIGOXJCCL-NSHDSACASA-N 2 0 211.309 -0.301 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CC[NH2+]CC1(C)C ZINC000911846846 639857008 /nfs/dbraw/zinc/85/70/08/639857008.db2.gz NTUVZQSGEGHDJV-UHFFFAOYSA-N 2 0 209.293 -0.580 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911850823 639858538 /nfs/dbraw/zinc/85/85/38/639858538.db2.gz BWUCRXZJDOXHMB-MNOVXSKESA-N 2 0 221.304 -0.438 20 30 BBEDRP C#CC[NH2+]CC(=O)NCC([NH3+])(CC)CC ZINC000911858195 639862006 /nfs/dbraw/zinc/86/20/06/639862006.db2.gz PEKAYUJGJYZWQO-UHFFFAOYSA-N 2 0 211.309 -0.157 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC[C@H]1C[NH2+]C ZINC000911863286 639850233 /nfs/dbraw/zinc/85/02/33/639850233.db2.gz DIESKQSQQDVWME-JTQLQIEISA-N 2 0 209.293 -0.580 20 30 BBEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000911863287 639849830 /nfs/dbraw/zinc/84/98/30/639849830.db2.gz DIESKQSQQDVWME-SNVBAGLBSA-N 2 0 209.293 -0.580 20 30 BBEDRP C#CC[NH2+]CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000911863983 639851957 /nfs/dbraw/zinc/85/19/57/639851957.db2.gz DTFBQCGDYFLDFE-UHFFFAOYSA-N 2 0 211.309 -0.348 20 30 BBEDRP C#CC[NH2+]CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000911869292 639852963 /nfs/dbraw/zinc/85/29/63/639852963.db2.gz UGTZRHWOBODIAV-UHFFFAOYSA-N 2 0 223.320 -0.063 20 30 BBEDRP C#CC[NH2+]CC(=O)N[C@H](C[NH3+])CCCC ZINC000911877701 639865651 /nfs/dbraw/zinc/86/56/51/639865651.db2.gz CGZNCXNLIFNQJV-JTQLQIEISA-N 2 0 211.309 -0.157 20 30 BBEDRP C#CC[NH2+]CC(=O)N[C@@H](C[NH3+])CCCC ZINC000911877702 639865449 /nfs/dbraw/zinc/86/54/49/639865449.db2.gz CGZNCXNLIFNQJV-SNVBAGLBSA-N 2 0 211.309 -0.157 20 30 BBEDRP C=C(C[NH+](C)C)C(=O)N1CCN(C)C[C@@H]1CO ZINC000912738527 640185096 /nfs/dbraw/zinc/18/50/96/640185096.db2.gz HMCMIMIEOCKKNV-LLVKDONJSA-N 2 0 241.335 -0.761 20 30 BBEDRP C=C(C[NH+](C)C)C(=O)N1CCN(C)C[C@H]1CO ZINC000912738528 640187611 /nfs/dbraw/zinc/18/76/11/640187611.db2.gz HMCMIMIEOCKKNV-NSHDSACASA-N 2 0 241.335 -0.761 20 30 BBEDRP C[NH+](C)CC#CCNC(=O)C[NH+]1CCCC1 ZINC000913520204 640382030 /nfs/dbraw/zinc/38/20/30/640382030.db2.gz IDTLEJKZXVZMOB-UHFFFAOYSA-N 2 0 223.320 -0.237 20 30 BBEDRP C[NH+](C)CC#CCNC(=O)C1([NH+](C)C)CC1 ZINC000913523405 640379505 /nfs/dbraw/zinc/37/95/05/640379505.db2.gz ZAFKMMPEIHVAHV-UHFFFAOYSA-N 2 0 223.320 -0.238 20 30 BBEDRP N#Cc1ccc(CCNC(C[NH3+])C[NH3+])cc1 ZINC000923358519 644367689 /nfs/dbraw/zinc/36/76/89/644367689.db2.gz CNRBICBYTCFCMH-UHFFFAOYSA-N 2 0 218.304 -0.024 20 30 BBEDRP N#Cc1ccccc1CNC(C[NH3+])C[NH3+] ZINC000923358746 644368005 /nfs/dbraw/zinc/36/80/05/644368005.db2.gz GXEUMIMOCILCLK-UHFFFAOYSA-N 2 0 204.277 -0.066 20 30 BBEDRP C=CCC[C@@H](O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000923366148 644379257 /nfs/dbraw/zinc/37/92/57/644379257.db2.gz KBOGZVQNLQTPBH-NXEZZACHSA-N 2 0 202.298 -0.435 20 30 BBEDRP C=CCC[C@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000923366149 644378291 /nfs/dbraw/zinc/37/82/91/644378291.db2.gz KBOGZVQNLQTPBH-UWVGGRQHSA-N 2 0 202.298 -0.435 20 30 BBEDRP C=CCC[C@H](O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000923366150 644378104 /nfs/dbraw/zinc/37/81/04/644378104.db2.gz KBOGZVQNLQTPBH-VHSXEESVSA-N 2 0 202.298 -0.435 20 30 BBEDRP C=CCC[C@@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000923366151 644379361 /nfs/dbraw/zinc/37/93/61/644379361.db2.gz KBOGZVQNLQTPBH-ZJUUUORDSA-N 2 0 202.298 -0.435 20 30 BBEDRP N#Cc1cnccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459139 644440395 /nfs/dbraw/zinc/44/03/95/644440395.db2.gz ANXXOSXBYQOILI-UHFFFAOYSA-N 2 0 245.330 -0.052 20 30 BBEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924980572 646149862 /nfs/dbraw/zinc/14/98/62/646149862.db2.gz HDNYCRZZHDSGIG-GHMZBOCLSA-N 2 0 241.335 -0.715 20 30 BBEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C ZINC000924980574 646149017 /nfs/dbraw/zinc/14/90/17/646149017.db2.gz HDNYCRZZHDSGIG-MNOVXSKESA-N 2 0 241.335 -0.715 20 30 BBEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C ZINC000924980577 646149449 /nfs/dbraw/zinc/14/94/49/646149449.db2.gz HDNYCRZZHDSGIG-QWRGUYRKSA-N 2 0 241.335 -0.715 20 30 BBEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C ZINC000924980579 646149220 /nfs/dbraw/zinc/14/92/20/646149220.db2.gz HDNYCRZZHDSGIG-WDEREUQCSA-N 2 0 241.335 -0.715 20 30 BBEDRP C=C(CC[NH+](C)C)C(=O)NCC[N@H+](C)CCO ZINC000924997829 711768032 /nfs/dbraw/zinc/76/80/32/711768032.db2.gz AKRQBULYKRMNNH-UHFFFAOYSA-N 2 0 243.351 -0.465 20 30 BBEDRP C=C(C[NH+](C)C)C(=O)NCC[N@H+](C)CCO ZINC000925002192 635839167 /nfs/dbraw/zinc/83/91/67/635839167.db2.gz RVLRPDXFDDXBAX-UHFFFAOYSA-N 2 0 229.324 -0.856 20 30 BBEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928553705 636089243 /nfs/dbraw/zinc/08/92/43/636089243.db2.gz DDZVSKMAEDJQQY-JTQLQIEISA-N 2 0 211.309 -0.076 20 30 BBEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928553706 636088794 /nfs/dbraw/zinc/08/87/94/636088794.db2.gz DDZVSKMAEDJQQY-SNVBAGLBSA-N 2 0 211.309 -0.076 20 30 BBEDRP C[N@@H+]1CC[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2C1 ZINC000931439567 640207050 /nfs/dbraw/zinc/20/70/50/640207050.db2.gz OTSIZLXBVWWSFB-MNOVXSKESA-N 2 0 236.319 -0.490 20 30 BBEDRP CC[C@@H](CO)[NH2+]CC#CC[NH2+][C@@H](CC)CO ZINC000931774496 640366522 /nfs/dbraw/zinc/36/65/22/640366522.db2.gz KFFXUUBSWDYUOM-RYUDHWBXSA-N 2 0 228.336 -0.289 20 30 BBEDRP CC[C@H](CO)[NH2+]CC#CC[NH2+][C@@H](CC)CO ZINC000931774501 640366166 /nfs/dbraw/zinc/36/61/66/640366166.db2.gz KFFXUUBSWDYUOM-TXEJJXNPSA-N 2 0 228.336 -0.289 20 30 BBEDRP CC[C@H](CO)[NH2+]CC#CC[NH2+][C@H](CC)CO ZINC000931774502 640366523 /nfs/dbraw/zinc/36/65/23/640366523.db2.gz KFFXUUBSWDYUOM-VXGBXAGGSA-N 2 0 228.336 -0.289 20 30 BBEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC000958379554 644792480 /nfs/dbraw/zinc/79/24/80/644792480.db2.gz WFRBAQARPNVZMT-QNWHQSFQSA-N 2 0 247.342 -0.240 20 30 BBEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC000958379556 711760818 /nfs/dbraw/zinc/76/08/18/711760818.db2.gz WFRBAQARPNVZMT-XQHKEYJVSA-N 2 0 247.342 -0.240 20 30 BBEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000962552701 642730701 /nfs/dbraw/zinc/73/07/01/642730701.db2.gz KKIDSVILNYVEND-NDBYEHHHSA-N 2 0 247.342 -0.382 20 30 BBEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962552704 642731163 /nfs/dbraw/zinc/73/11/63/642731163.db2.gz KKIDSVILNYVEND-WUHRBBMRSA-N 2 0 247.342 -0.382 20 30 BBEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962557688 642730641 /nfs/dbraw/zinc/73/06/41/642730641.db2.gz UPDRQRWIJJRXLT-IMRBUKKESA-N 2 0 247.342 -0.238 20 30 BBEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1 ZINC000963001708 642738695 /nfs/dbraw/zinc/73/86/95/642738695.db2.gz BJIRSOUGOIJOHX-PJXYFTJBSA-N 2 0 244.298 -0.437 20 30 BBEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000967895348 642803519 /nfs/dbraw/zinc/80/35/19/642803519.db2.gz LGYZXZQPRPTRDR-NEPJUHHUSA-N 2 0 235.331 -0.096 20 30 BBEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000967895353 642804660 /nfs/dbraw/zinc/80/46/60/642804660.db2.gz LGYZXZQPRPTRDR-VXGBXAGGSA-N 2 0 235.331 -0.096 20 30 BBEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000970489486 711478074 /nfs/dbraw/zinc/47/80/74/711478074.db2.gz DAUUWVZUVAAGJE-GFCCVEGCSA-N 2 0 247.342 -0.094 20 30 BBEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970713480 643508680 /nfs/dbraw/zinc/50/86/80/643508680.db2.gz YNPVOKJXJNRNEB-NWDGAFQWSA-N 2 0 235.331 -0.238 20 30 BBEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970713481 643510437 /nfs/dbraw/zinc/51/04/37/643510437.db2.gz YNPVOKJXJNRNEB-VXGBXAGGSA-N 2 0 235.331 -0.238 20 30 BBEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000970719380 643514382 /nfs/dbraw/zinc/51/43/82/643514382.db2.gz CSHLVWJTSKNGMM-GFCCVEGCSA-N 2 0 235.331 -0.094 20 30 BBEDRP C#CCN1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016259630 642954753 /nfs/dbraw/zinc/95/47/53/642954753.db2.gz UQHYPHBABORMDE-GFCCVEGCSA-N 2 0 235.331 -0.094 20 30 BBEDRP C#CCN1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016259632 642951546 /nfs/dbraw/zinc/95/15/46/642951546.db2.gz UQHYPHBABORMDE-LBPRGKRZSA-N 2 0 235.331 -0.094 20 30 BBEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001018628179 643002387 /nfs/dbraw/zinc/00/23/87/643002387.db2.gz LGYZXZQPRPTRDR-NWDGAFQWSA-N 2 0 235.331 -0.096 20 30 BBEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001018628182 643003713 /nfs/dbraw/zinc/00/37/13/643003713.db2.gz LGYZXZQPRPTRDR-RYUDHWBXSA-N 2 0 235.331 -0.096 20 30 BBEDRP C#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001019659497 643040010 /nfs/dbraw/zinc/04/00/10/643040010.db2.gz DAUUWVZUVAAGJE-LBPRGKRZSA-N 2 0 247.342 -0.094 20 30 BBEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019771751 633790148 /nfs/dbraw/zinc/79/01/48/633790148.db2.gz YNPVOKJXJNRNEB-NEPJUHHUSA-N 2 0 235.331 -0.238 20 30 BBEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001019771752 633790771 /nfs/dbraw/zinc/79/07/71/633790771.db2.gz YNPVOKJXJNRNEB-RYUDHWBXSA-N 2 0 235.331 -0.238 20 30 BBEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001020025496 633806277 /nfs/dbraw/zinc/80/62/77/633806277.db2.gz REVVUOGWELLEJY-IJLUTSLNSA-N 2 0 235.331 -0.049 20 30 BBEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001020025497 633806838 /nfs/dbraw/zinc/80/68/38/633806838.db2.gz REVVUOGWELLEJY-SRVKXCTJSA-N 2 0 235.331 -0.049 20 30 BBEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020932517 643342121 /nfs/dbraw/zinc/34/21/21/643342121.db2.gz LJQCZQBTYOZFHA-HAQNSBGRSA-N 2 0 247.342 -0.048 20 30 BBEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021047679 643393879 /nfs/dbraw/zinc/39/38/79/643393879.db2.gz LARUDAQAXCYOQT-IJLUTSLNSA-N 2 0 235.331 -0.192 20 30 BBEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021047680 643393354 /nfs/dbraw/zinc/39/33/54/643393354.db2.gz LARUDAQAXCYOQT-SRVKXCTJSA-N 2 0 235.331 -0.192 20 30 BBEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001021050227 643394868 /nfs/dbraw/zinc/39/48/68/643394868.db2.gz AFJMDOYFATZGMH-HAQNSBGRSA-N 2 0 235.331 -0.048 20 30 BBEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001021895782 642439964 /nfs/dbraw/zinc/43/99/64/642439964.db2.gz REVVUOGWELLEJY-GRYCIOLGSA-N 2 0 235.331 -0.049 20 30 BBEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001021895783 642441630 /nfs/dbraw/zinc/44/16/30/642441630.db2.gz REVVUOGWELLEJY-TUAOUCFPSA-N 2 0 235.331 -0.049 20 30 BBEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022980215 632093917 /nfs/dbraw/zinc/09/39/17/632093917.db2.gz LJQCZQBTYOZFHA-TXEJJXNPSA-N 2 0 247.342 -0.048 20 30 BBEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023084240 632125461 /nfs/dbraw/zinc/12/54/61/632125461.db2.gz LARUDAQAXCYOQT-SDDRHHMPSA-N 2 0 235.331 -0.192 20 30 BBEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023084241 632126551 /nfs/dbraw/zinc/12/65/51/632126551.db2.gz LARUDAQAXCYOQT-UTUOFQBUSA-N 2 0 235.331 -0.192 20 30 BBEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023088628 632128328 /nfs/dbraw/zinc/12/83/28/632128328.db2.gz AFJMDOYFATZGMH-TXEJJXNPSA-N 2 0 235.331 -0.048 20 30 BBEDRP C#CCCN1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389113 642054792 /nfs/dbraw/zinc/05/47/92/642054792.db2.gz BIMJCUAVYKUHJT-UHFFFAOYSA-N 2 0 235.331 -0.094 20 30 BBEDRP